SCHEMBL6496231

SCHEMBL6496231

CC1CCc2cccc3c4c(n1c23)CCN(C(=O)OCc1ccccc1)CC4

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.50
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
CYP2C19 P33261 1/20 0.48
TMEM97 Q5BJF2 5/20 0.47
SIGMAR1 Q99720 5/20 0.47
HTT P42858 1/20 0.47
HDAC1 Q13547 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HTR2C P28335 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PTGDR2 Q9Y5Y4 3/20 0.41
GRIN2B Q13224 1/20 0.41

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
SCHEMBL6491761 0.84 CHRM1 (0.38) SIGMAR1HTR2CPTGDR2
SCHEMBL6494502 0.80 TMEM97 (0.49) SMN1; SMN2NPC1RAB9ACYP2C19TMEM97
SCHEMBL6485348 0.80 MEN1 (0.49) SMN1; SMN2NPC1RAB9ACYP2C19TMEM97
SCHEMBL6483674 0.79 SMN1; SMN2 (0.48) SMN1; SMN2NPC1RAB9ACYP2C19TMEM97
SCHEMBL6495688 0.76 MEN1 (0.47) SMN1; SMN2NPC1RAB9ACYP2C19TMEM97
SCHEMBL6850299 0.74 KDM4E (0.38) CYP2C19MEN1KMT2APTGDR2GRIN2B
SCHEMBL15056469 0.73 NPC1 (0.67) SMN1; SMN2NPC1RAB9ACYP2C19TMEM97
SCHEMBL6333416 0.72 HDAC1 (0.66) TMEM97SIGMAR1HDAC1HDAC6MEN1
SCHEMBL6483108 0.71 MEN1 (0.47) SMN1; SMN2NPC1RAB9ACYP2C19TMEM97
SCHEMBL4760522 0.71 SMN1; SMN2 (0.74) SMN1; SMN2NPC1RAB9ACYP2C19HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050282796-A1 Tetracyclic azepinoindole compounds PFIZER 2005-12-22 US claimed
EP-1173440-B1 TETRACYCLIC AZEPINOINDOLE COMPOUNDS AS 5-HT RECEPTOR LIGANDS UPJOHN CO (US) 2004-09-15 EP claimed
JP-2002543080-A 2002-12-17 JP claimed
EP-1173440-A1 TETRACYCLIC AZEPINOINDOLE COMPOUNDS AS 5-HT RECEPTOR LIGANDS PHARMACIA & UPJOHN COMPANY (US) 2002-01-23 EP claimed
WO-2000064899-A1 TETRACYCLIC AZEPINOINDOLE COMPOUNDS AS 5-HT RECEPTOR LIGANDS PHARMACIA & UPJOHN COMPANY (US) 2000-11-02 WO claimed
US-20050282796-A1 Tetracyclic azepinoindole compounds PFIZER 2005-12-22 US disclosed
US-6875762-B2 Tetracyclic azepinoindole compounds PFIZER (US) 2005-04-05 US disclosed
EP-1173440-B1 TETRACYCLIC AZEPINOINDOLE COMPOUNDS AS 5-HT RECEPTOR LIGANDS UPJOHN CO (US) 2004-09-15 EP disclosed
US-20040138202-A1 Tetracyclic azepinoindole compounds PHARMACIA AND UPJOHN COMPANY 2004-07-15 US disclosed
US-6407092-B1 5-HYDROXYTRYPTAMINE MODULATORS AND ANTISEROTONINE AGENTS; TREATING EATING, SEXUAL, SLEEP, NERVOUS SYSTEM, PSYCHOLOGICAL, AND GASTROINTESTINAL DISORDERS; ANTIDEPRESSANTS, ANXIOLYTIC AGENTS PHARMACIA & UPJOHN COMPANY 2002-06-18 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 (2 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-20050282796-A1 Tetracyclic azepinoindole compounds TBXA2R, NPY5R, AZI2 SMN1; SMN2 1081/4885NPC1 1053/4885RAB9A 1334/4885
US-20040138202-A1 Tetracyclic azepinoindole compounds TPH1, AZI2, CYP1A2 SMN1; SMN2 992/4885NPC1 694/4885RAB9A 1102/4885

“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.