SCHEMBL6851495

SCHEMBL6851495

CC1(C)Cn2c3c(c4cccc(c42)O1)CCNCC3

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 12/20 0.61
HTR2A P28223 8/20 0.61
KDM4E B2RXH2 2/20 0.44
ALOX15 P16050 2/20 0.44
MAPK1 P28482 2/20 0.44
HSD17B10 Q99714 2/20 0.44
MEN1 O00255 1/20 0.37
TP53 P04637 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HTR6 P50406 7/20 0.37

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
Hydrochloric Acid SCHEMBL6493918 0.99 HTR2C (0.60) HTR2CHTR2AKDM4EALOX15MAPK1
SCHEMBL6851523 0.77 HTR2A (0.39) HTR2CHTR2ACYP2C9HTR6
SCHEMBL6847348 0.77 HTR2C (0.61) HTR2CHTR2AKDM4EALOX15MAPK1
Hydrochloric Acid SCHEMBL6494325 0.76 HTR2C (0.60) HTR2CHTR2AKDM4EALOX15MAPK1
SCHEMBL6498273 0.76 HTR2C (1.00) HTR2CHTR2AKDM4EALOX15MAPK1
SCHEMBL29391193 0.76 HTR2C (1.00) HTR2CHTR2AKDM4EALOX15MAPK1
Hydrochloric Acid SCHEMBL6486261 0.75 HTR2C (0.97) HTR2CHTR2AKDM4EALOX15MAPK1
SCHEMBL6483809 0.69 HTR2C (0.51) HTR2CHTR2AKDM4EALOX15MAPK1
SCHEMBL6499223 0.68 HTR2C (0.53) HTR2CHTR2AKDM4EALOX15MAPK1
SCHEMBL11427738 0.68 HTR2C (0.50) HTR2CHTR2AKDM4EALOX15MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1173440-B1 TETRACYCLIC AZEPINOINDOLE COMPOUNDS AS 5-HT RECEPTOR LIGANDS UPJOHN CO (US) 2004-09-15 EP claimed
US-20020198190-A1 Tetracyclic azepinoindole compounds PHARMACIA & UPJOHN COMPANY 2002-12-26 US claimed
JP-2002543080-A 2002-12-17 JP claimed
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 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

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-20020198190-A1 Tetracyclic azepinoindole compounds TPH1, AZI2, CYP1A2 HTR2C 24/4885HTR2A 43/4885KDM4E 1620/4885

“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.