SCHEMBL23523906

SCHEMBL23523906

COc1ccccc1-c1nnc(-c2ccc3c(c2)CCC(=O)N3)o1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 4/20 0.49
CYP11B2 P19099 4/20 0.49
CYP1A2 P05177 2/20 0.49
RAB9A P51151 5/20 0.48
NPC1 O15118 4/20 0.48
MAPT P10636 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
HPGD P15428 1/20 0.48
CYP19A1 P11511 1/20 0.47
ABCB1 P08183 1/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2B6 P20813 1/20 0.46
CYP2C19 P33261 1/20 0.46
PDE3B Q13370 2/20 0.45
PDE3A Q14432 2/20 0.45
TBXAS1 P24557 1/20 0.45

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
SCHEMBL30355497 1.00 CYP11B1 (0.49) CYP11B1CYP11B2CYP1A2RAB9ANPC1
SCHEMBL25857007 0.78 RAB9A (0.53) RAB9ANPC1MAPTSMN1; SMN2KDM4E
SCHEMBL25856992 0.75 RAB9A (0.52) RAB9ANPC1MAPTSMN1; SMN2KDM4E
SCHEMBL25864777 0.73 RAB9A (0.50) RAB9ANPC1MAPTSMN1; SMN2KDM4E
SCHEMBL23084679 0.72 CDC7 (0.53) RAB9ANPC1MAPTSMN1; SMN2KDM4E
SCHEMBL30355588 0.72 CDC7 (0.53) RAB9ANPC1MAPTSMN1; SMN2KDM4E
SCHEMBL30355446 0.72 ALDH1A1 (0.51) RAB9ANPC1MAPTSMN1; SMN2KDM4E
SCHEMBL20587635 0.72 ALDH1A1 (0.51) RAB9ANPC1MAPTSMN1; SMN2KDM4E
SCHEMBL23558471 0.71 ALDH1A1 (0.50) RAB9ANPC1MAPTSMN1; SMN2KDM4E
SCHEMBL16090313 0.71 CDC7 (0.67) CYP11B1CYP11B2CYP1A2RAB9ANPC1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same TREVENA, INC. (US) 2024-02-27 US disclosed
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same TREVENA, INC. (US) 2024-02-27 US disclosed
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same TREVENA, INC. (US) 2024-02-27 US disclosed
US-20230234946-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME TREVENA, INC. 2023-07-27 US disclosed
US-20230234946-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME TREVENA, INC. 2023-07-27 US disclosed
US-20230234946-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME TREVENA, INC. 2023-07-27 US disclosed
US-20230114241-A1 METHODS OF TREATING EPILEPSY USING THE SAME TREVENA, INC. 2023-04-13 US disclosed
US-20210188826-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME TREVENA, INC. 2021-06-24 US disclosed
US-20210188826-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME TREVENA, INC. 2021-06-24 US 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 (4 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-20230234946-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME S1PR1, S1PR2, S1PR3 CYP11B1 1869/4885CYP11B2 2298/4885CYP1A2 4278/4885
US-20230114241-A1 METHODS OF TREATING EPILEPSY USING THE SAME S1PR1, S1PR2, S1PR3 CYP11B1 980/4885CYP11B2 1055/4885CYP1A2 2753/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 CYP11B1 1869/4885CYP11B2 2298/4885CYP1A2 4278/4885
US-20210188826-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME S1PR1, S1PR2, S1PR3 CYP11B1 1869/4885CYP11B2 2298/4885CYP1A2 4278/4885

“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.