SCHEMBL2900788

SCHEMBL2900788

C1CCC(NC2CCCCC2)CC1.O=C(O)CNSc1ccccc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.53
NPSR1 Q6W5P4 1/20 0.53
ALDH1A1 P00352 10/20 0.50
KMT2A Q03164 6/20 0.50
MEN1 O00255 5/20 0.50
KDM4E B2RXH2 3/20 0.50
GAA P10253 3/20 0.45
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
L3MBTL1 Q9Y468 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
HCAR3 P49019 1/20 0.39
LMNA P02545 1/20 0.39
ALPG P10696 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
EPHX2 P34913 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2900787 1.00 MAPT (0.53) MAPTNPSR1ALDH1A1KMT2AMEN1
SCHEMBL2905085 0.86 MAPT (0.57) MAPTNPSR1ALDH1A1KMT2AMEN1
SCHEMBL2905084 0.86 MAPT (0.57) MAPTNPSR1ALDH1A1KMT2AMEN1
SCHEMBL11803384 0.79 MAPT (0.50) MAPTNPSR1ALDH1A1KMT2AMEN1
SCHEMBL9064013 0.78 ALDH1A1 (0.56) MAPTNPSR1ALDH1A1KMT2AMEN1
SCHEMBL30353822 0.77 ALDH1A1 (0.47) MAPTNPSR1ALDH1A1KMT2AMEN1
SCHEMBL11051174 0.77 MAPT (0.50) MAPTNPSR1ALDH1A1KMT2AMEN1
SCHEMBL6860117 0.75 ALDH1A1 (0.55) MAPTALDH1A1KMT2AMEN1KDM4E
SCHEMBL2899745 0.74 ALDH1A1 (0.47) MAPTNPSR1ALDH1A1KMT2AMEN1
SCHEMBL2899744 0.74 ALDH1A1 (0.47) MAPTNPSR1ALDH1A1KMT2AMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240217942-A1 PRODRUGS OF TETRAHYDROCANNABINOL COMPOSITIONS COMPRISING PRODRUGS OF TETRAHYDROCANNABINOL AND METHODS OF USING THE SAME ZYNERBA PHARMACEUTICALS, INC. (US) 2024-07-04 US disclosed
US-20240083866-A1 PRODRUGS OF TETRAHYDROCANNABINOL COMPOSITIONS COMPRISING PRODRUGS OF TETRAHYDROCANNABINOL AND METHODS OF USING THE SAME ZYNERBA PHARMACEUTICALS, INC. (US) 2024-03-14 US disclosed
US-20220194916-A1 PRODRUGS OF TETRAHYDROCANNABINOL, COMPOSITIONS COMPRISING PRODRUGS OF TETRAHYDROCANNABINOL AND METHODS OF USING THE SAME ZYNERBA PHARMACEUTICALS, INC. (US) 2022-06-23 US disclosed
US-20210047284-A1 PRODRUGS OF TETRAHYDROCANNABINOL, COMPOSITIONS COMPRISING PRODRUGS OF TETRAHYDROCANNABINOL AND METHODS OF USING THE SAME ZYNERBA PHARMACEUTICALS, INC. (US) 2021-02-18 US disclosed
US-20200247774-A1 PRODRUGS OF TETRAHYDROCANNABINOL, COMPOSITIONS COMPRISING PRODRUGS OF TETRAHYDROCANNABINOL AND METHODS OF USING THE SAME ZYNERBA PHARMACEUTICALS, INC. (US) 2020-08-06 US disclosed
US-20200024248-A1 PRODRUGS OF TETRAHYDROCANNABINOL, COMPOSITIONS COMPRISING PRODRUGS OF TETRAHYDROCANNABINOL AND METHODS OF USING THE SAME ZYNERBA PHARMACEUTICALS, INC. (US) 2020-01-23 US disclosed
US-20190233387-A1 PRODRUGS OF TETRAHYDROCANNABINOL, COMPOSITIONS COMPRISING PRODRUGS OF TETRAHYDROCANNABINOL AND METHODS OF USING THE SAME ZYNERBA PHARMACEUTICALS, INC. (US) 2019-08-01 US disclosed
EP-2963031-B1 PRODRUGS OF TETRAHYDROCANNABINOL, COMPOSITIONS COMPRISING PRODRUGS OF TETRAHYDROCANNABINOL AND METHODS OF USING THE SAME ZYNERBA PHARMACEUTICALS INC (US) 2019-02-06 EP disclosed
US-20190031637-A1 PRODRUGS OF TETRAHYDROCANNABINOL, COMPOSITIONS COMPRISING PRODRUGS OF TETRAHYDROCANNABINOL AND METHODS OF USING THE SAME ZYNERBA PHARMACEUTICALS (US) 2019-01-31 US disclosed
US-20180208572-A1 PRODRUGS OF TETRAHYDROCANNABINOL, COMPOSITIONS COMPRISING PRODRUGS OF TETRAHYDROCANNABINOL AND METHODS OF USING THE SAME ZYNERBA PHARMACEUTICALS INC (US) 2018-07-26 US disclosed
WO-2009073633-A1 PRODRUGS OF TETRAHYDROCANNABINOL, COMPOSITIONS COMPRISING PRODRUGS OF TETRAHYDROCANNABINOL AND METHODS OF USING THE SAME ALLTRANZ INC. (US) 2009-06-11 WO disclosed
US-20090143462-A1 Products of Tetrahydrocannabinol, Compositions Comprising Prodrugs of Tetrahydrocannabinol and Methods of Using the Same ALLTRANZ (US) 2009-06-04 US disclosed
US-5104985-A Rearrangement in the presence of an alkali metal bis (tris-lower alkyl silyl)amide HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1992-04-14 US disclosed
EP-0193132-B1 LABDAN-DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1991-04-17 EP disclosed
US-4963537-A REDUCE INTRAOCULAR PRESSURE HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1990-10-16 US disclosed
US-4851397-A LOWERING INTRAOCULAR PRESSURE HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1989-07-25 US disclosed
US-4771049-A REDUCING INTRAOCULAR PRESSURE HOECHST-ROUSSEL PHARMACEUTICALS (US) 1988-09-13 US disclosed
US-4677103-A REDUCING INTRAOCULAR PRESSURE HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1987-06-30 US disclosed
US-4639443-A INTRAOCULAR PRESSURE REDUCTION HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1987-01-27 US disclosed
EP-0193132-A2 Labdan-derivatives, a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1986-09-03 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20180208572-A1 PRODRUGS OF TETRAHYDROCANNABINOL, COMPOSITIONS COMPRISING PRODRUGS OF TETRAHYDROCANNABINOL AND METHODS OF USING THE SAME CNR2, CNR1, FAAH MAPT 917/4885NPSR1 214/4885ALDH1A1 2405/4885
US-20200247774-A1 PRODRUGS OF TETRAHYDROCANNABINOL, COMPOSITIONS COMPRISING PRODRUGS OF TETRAHYDROCANNABINOL AND METHODS OF USING THE SAME CNR2, CNR1, FAAH MAPT 917/4885NPSR1 214/4885ALDH1A1 2405/4885
US-20190233387-A1 PRODRUGS OF TETRAHYDROCANNABINOL, COMPOSITIONS COMPRISING PRODRUGS OF TETRAHYDROCANNABINOL AND METHODS OF USING THE SAME CNR2, CNR1, FAAH MAPT 917/4885NPSR1 214/4885ALDH1A1 2405/4885
US-20200024248-A1 PRODRUGS OF TETRAHYDROCANNABINOL, COMPOSITIONS COMPRISING PRODRUGS OF TETRAHYDROCANNABINOL AND METHODS OF USING THE SAME CNR2, CNR1, FAAH MAPT 917/4885NPSR1 214/4885ALDH1A1 2405/4885
US-20240083866-A1 PRODRUGS OF TETRAHYDROCANNABINOL COMPOSITIONS COMPRISING PRODRUGS OF TETRAHYDROCANNABINOL AND METHODS OF USING THE SAME CNR2, CNR1, FAAH MAPT 816/4885NPSR1 234/4885ALDH1A1 2229/4885
US-20090143462-A1 Products of Tetrahydrocannabinol, Compositions Comprising Prodrugs of Tetrahydrocannabinol and Methods of Using the Same CNR2, CNR1, FAAH MAPT 706/4885NPSR1 271/4885ALDH1A1 2452/4885
US-20220194916-A1 PRODRUGS OF TETRAHYDROCANNABINOL, COMPOSITIONS COMPRISING PRODRUGS OF TETRAHYDROCANNABINOL AND METHODS OF USING THE SAME CNR2, CNR1, FAAH MAPT 917/4885NPSR1 214/4885ALDH1A1 2405/4885
US-20190031637-A1 PRODRUGS OF TETRAHYDROCANNABINOL, COMPOSITIONS COMPRISING PRODRUGS OF TETRAHYDROCANNABINOL AND METHODS OF USING THE SAME CNR2, CNR1, FAAH MAPT 917/4885NPSR1 214/4885ALDH1A1 2405/4885
US-20210047284-A1 PRODRUGS OF TETRAHYDROCANNABINOL, COMPOSITIONS COMPRISING PRODRUGS OF TETRAHYDROCANNABINOL AND METHODS OF USING THE SAME CNR2, CNR1, FAAH MAPT 917/4885NPSR1 214/4885ALDH1A1 2405/4885
US-20240217942-A1 PRODRUGS OF TETRAHYDROCANNABINOL COMPOSITIONS COMPRISING PRODRUGS OF TETRAHYDROCANNABINOL AND METHODS OF USING THE SAME CNR2, CNR1, FAAH MAPT 816/4885NPSR1 234/4885ALDH1A1 2229/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.