SCHEMBL6497695

SCHEMBL6497695

COc1ccc2c3c1c1c(n3CCC2)CCN(C(=O)c2ccccc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
CYP1A2 P05177 1/20 0.45
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
PDE4B Q07343 2/20 0.42
ACHE P22303 3/20 0.41
BACE1 P56817 3/20 0.41
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HPGD P15428 3/20 0.40
TSHR P16473 2/20 0.40
MAPT P10636 2/20 0.40
LMNA P02545 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PDE4A P27815 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
POLB P06746 1/20 0.39
DRD2 P14416 1/20 0.39
HTR2A P28223 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
SCHEMBL6493920 0.72 PTGDR2 (0.50) ALDH1A1CYP1A2MEN1KMT2AMAPK1
SCHEMBL6850296 0.70 PDE3B (0.38) ALDH1A1MEN1KMT2AHTR2AKDM4E
SCHEMBL7030588 0.68 MCL1 (0.52) ALDH1A1CYP1A2MEN1KMT2AMAPK1
SCHEMBL7893969 0.65 KMT2A (0.85) ALDH1A1MEN1KMT2APDE4BMAPK1
SCHEMBL6492296 0.65 PTGDR2 (0.45) ALDH1A1HPGDTSHRLMNAHSD17B10
SCHEMBL6474754 0.64 HPGD (0.68) ALDH1A1ACHEMAPK1HPGDTSHR
SCHEMBL6482946 0.63 PTGDR2 (0.41) MEN1KMT2AACHEHPGD
SCHEMBL6485348 0.63 MEN1 (0.49) ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL6498327 0.63 PTGDR2 (0.45) ALDH1A1MEN1KMT2AHPGDLMNA
SCHEMBL28469739 0.62 HPGD (0.63) ALDH1A1ACHEMAPK1SMN1; SMN2HPGD

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 8 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
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-20020198190-A1 Tetracyclic azepinoindole compounds PHARMACIA & UPJOHN COMPANY 2002-12-26 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 (3 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 ALDH1A1 542/4885CYP1A2 4/4885MEN1 242/4885
US-20040138202-A1 Tetracyclic azepinoindole compounds TPH1, AZI2, CYP1A2 ALDH1A1 327/4885CYP1A2 3/4885MEN1 164/4885
US-20020198190-A1 Tetracyclic azepinoindole compounds TPH1, AZI2, CYP1A2 ALDH1A1 327/4885CYP1A2 3/4885MEN1 164/4885

“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.