SCHEMBL6500958

SCHEMBL6500958

Cc1cc2c3c(c1)c1c(n3CCC2)CCNCC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 12/20 0.62
HTR2A P28223 9/20 0.62
MAPK1 P28482 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HSD17B10 Q99714 4/20 0.39
KDM4E B2RXH2 3/20 0.39
ALOX15 P16050 2/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HPGD P15428 2/20 0.37
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HTR6 P50406 2/20 0.34

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 SCHEMBL6487555 0.99 HTR2C (0.61) HTR2CHTR2AMAPK1MEN1KMT2A
SCHEMBL6501527 0.83 HTR2C (0.46) HTR2CHTR2AMAPK1MEN1KMT2A
Hydrochloric Acid SCHEMBL6482160 0.82 HTR2C (0.45) HTR2CHTR2AMAPK1MEN1KMT2A
SCHEMBL2361919 0.82 HTR2C (0.64) HTR2CHTR2AMAPK1MEN1KMT2A
SCHEMBL12457155 0.78 HTR2A (0.49) HTR2CHTR2AMAPK1MEN1KMT2A
SCHEMBL6847653 0.78 HTR2C (0.65) HTR2CHTR2AMAPK1MEN1KMT2A
SCHEMBL5413796 0.77 HTR2C (0.60) HTR2CHTR2AMAPK1MEN1KMT2A
SCHEMBL7227653 0.77 HTR2C (1.00) HTR2CHTR2AMAPK1MEN1KMT2A
SCHEMBL4063381 0.77 HTR2C (1.00) HTR2CHTR2AMAPK1MEN1KMT2A
Hydrochloric Acid SCHEMBL6495767 0.77 HTR2C (0.64) HTR2CHTR2AMAPK1MEN1KMT2A

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 3 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-20020198190-A1 Tetracyclic azepinoindole compounds PHARMACIA & UPJOHN COMPANY 2002-12-26 US 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 (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 HTR2C 22/4885HTR2A 34/4885MAPK1 4321/4885
US-20020198190-A1 Tetracyclic azepinoindole compounds TPH1, AZI2, CYP1A2 HTR2C 24/4885HTR2A 43/4885MAPK1 3137/4885

“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.