SCHEMBL2453645

SCHEMBL2453645

CN1CC[C@@]2(C)c3cc(O)ccc3N(C)C12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 1.00
MEN1 O00255 3/20 1.00
KMT2A Q03164 3/20 1.00
CYP2D6 P10635 3/20 1.00
TP53 P04637 2/20 1.00
ALOX15 P16050 2/20 1.00
MAPT P10636 2/20 1.00
CYP1A2 P05177 2/20 1.00
HIF1A Q16665 2/20 1.00
MTOR P42345 1/20 1.00
CYP3A4 P08684 1/20 1.00
CYP2C9 P11712 1/20 1.00
CYP2C19 P33261 1/20 1.00
THPO P40225 1/20 1.00
HSD17B10 Q99714 1/20 1.00
FTO Q9C0B1 1/20 1.00
BLM P54132 3/20 0.81
THRB P10828 2/20 0.81
ALDH1A1 P00352 2/20 0.81
LMNA P02545 2/20 0.81

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
SCHEMBL12849250 1.00 KDM4E (1.00) KDM4EMEN1KMT2ACYP2D6TP53
SCHEMBL150459 1.00 KDM4E (1.00) KDM4EMEN1KMT2ACYP2D6TP53
SCHEMBL30142606 1.00 KDM4E (1.00) KDM4EMEN1KMT2ACYP2D6TP53
SCHEMBL12083012 1.00 KDM4E (1.00) KDM4EMEN1KMT2ACYP2D6TP53
SCHEMBL22215232 1.00 KDM4E (1.00) KDM4EMEN1KMT2ACYP2D6TP53
SCHEMBL150460 1.00 KDM4E (1.00) KDM4EMEN1KMT2ACYP2D6TP53
Carbamic Acid SCHEMBL2453716 0.92 KDM4E (0.85) KDM4EMEN1KMT2ACYP2D6TP53
SCHEMBL31663895 0.92 KDM4E (0.85) KDM4EMEN1KMT2ACYP2D6TP53
Ether SCHEMBL7982613 0.91 KDM4E (0.83) KDM4EMEN1KMT2ACYP2D6TP53
SCHEMBL4104614 0.90 KDM4E (0.81) KDM4EMEN1KMT2ACYP2D6TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0946560-A1 METHOD OF PREPARATION OF PHYSOSTIGMINE CARBAMATE DERIVATIVES FROM ESEROLINE ETHERS HOECHST MARION ROUSSEL, INC. (US) 1999-10-06 EP claimed
WO-1998027096-A1 METHOD OF PREPARATION OF PHYSOSTIGMINE CARBAMATE DERIVATIVES FROM ESEROLINE ETHERS HOECHST MARION ROUSSEL, INC. (US) 1998-06-25 WO claimed
EP-0538248-B1 TETRAHYDROISOQUINOLINYLCARBAMATES OF 1,2,3,3A,8,8A-HEXAHYDRO-1,3A,8-TRIMETHYLPYRROLO [2,3-B]INDOLE HOECHST MARION ROUSSEL INC (US) 1998-02-11 EP claimed
US-5665880-A Method of preparation of physostigmine carbamate derivatives from eseretholes HOECHST MARION ROUSSEL, INC. (US) 1997-09-09 US claimed
US-5547977-A Memory enhancing and analgesic 1,2,3,3A,8,8A-hexahydro-3A,8(and 1,3A,8)-di (and Tri) methylpyrrolo (2,3-B) indoles HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1996-08-20 US claimed
EP-0538248-A4 1994-08-03 EP claimed
EP-0538248-A1 TETRAHYDROISOQUINOLINYLCARBAMATES OF 1,2,3,3A,8,8A-HEXAHYDRO-1,3A,8-TRIMETHYLPYRROLO [2,3-B]INDOLE HOECHST MARION ROUSSEL, INC. (US) 1993-04-28 EP claimed
US-5187165-A Eseroline derivatives; cholinergic agents; antidepressants HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1993-02-16 US claimed
WO-1992000072-A1 TETRAHYDROISOQUINOLINYLCARBAMATES OF 1,2,3,3A,8,8A-HEXAHYDRO-1,3A,8-TRIMETHYLPYRROLO[2,3-B]INDOLE HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1992-01-09 WO claimed
US-4791107-A Memory enhancing and analgesic 1,2,3,3A,8,8A-hexahydro-3A,8 (and) 1,3A,8)-di(and tri)methylpyrrolo(2,3-B)indoles, compositions and use HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1988-12-13 US claimed
EP-0253372-A2 1,2,3,3a,8,8a-Hexahydro-1,3a,8-trimethylpyrrolo[2,3-b]indoles, a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1988-01-20 EP claimed
WO-2020227385-A1 COMPOUNDS AND METHODS FOR TREATING OR PREVENTING FIBROSIS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-11-12 WO disclosed
US-20120295946-A1 Agents Useful for Reducing Amyloid Precursor Protein and Treating Dementia and Methods of Use Thereof National Institute of Health (NIH) 2012-11-22 US disclosed
US-20120295946-A1 Agents Useful for Reducing Amyloid Precursor Protein and Treating Dementia and Methods of Use Thereof National Institute of Health (NIH) 2012-11-22 US disclosed
US-8258172-B2 Agents useful for reducing amyloid precursor protein and treating dementia and methods of use thereof RAPTOR PHARMACEUTICAL CORP (US) 2012-09-04 US disclosed
US-5206260-A Cholinesterase inhibitors MERCK & CO., INC. (US) 1993-04-27 US disclosed
US-5187165-A Eseroline derivatives; cholinergic agents; antidepressants HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1993-02-16 US disclosed
WO-1992000072-A1 TETRAHYDROISOQUINOLINYLCARBAMATES OF 1,2,3,3A,8,8A-HEXAHYDRO-1,3A,8-TRIMETHYLPYRROLO[2,3-B]INDOLE HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1992-01-09 WO disclosed
US-4791107-A Memory enhancing and analgesic 1,2,3,3A,8,8A-hexahydro-3A,8 (and) 1,3A,8)-di(and tri)methylpyrrolo(2,3-B)indoles, compositions and use HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1988-12-13 US disclosed
EP-0253372-A2 1,2,3,3a,8,8a-Hexahydro-1,3a,8-trimethylpyrrolo[2,3-b]indoles, a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1988-01-20 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 (1 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-20120295946-A1 Agents Useful for Reducing Amyloid Precursor Protein and Treating Dementia and Methods of Use Thereof APP, BACE1, PSEN1 KDM4E 3926/4885MEN1 2576/4885KMT2A 4287/4885

“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.