SCHEMBL6507041

SCHEMBL6507041

Clc1ccc2c3c1c1c(n3CC2)CCNCC1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 16/20 0.45
HTR2A P28223 14/20 0.45
HTR2B P41595 11/20 0.45
PNMT P11086 3/20 0.37
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
HTR6 P50406 1/20 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
Maleic Acid SCHEMBL6499039 0.89 HTR2C (0.37) HTR2CHTR2AHTR2BPNMTADRA2A
Fumaric Acid SCHEMBL6499043 0.89 HTR2C (0.37) HTR2CHTR2AHTR2BPNMTADRA2A
SCHEMBL5739665 0.85 HTR2C (0.57) HTR2CHTR2AHTR2BPNMTADRA2A
SCHEMBL5739712 0.85 HTR2C (0.54) HTR2CHTR2AHTR2BPNMTADRA2A
SCHEMBL6488159 0.82 HTR2C (0.61) HTR2CHTR2AHTR2B
SCHEMBL6499399 0.82 HTR2C (0.46) HTR2CHTR2AHTR2BPNMT
SCHEMBL6495632 0.79 HTR2C (0.47) HTR2CHTR2AHTR2BPNMTHTR6
SCHEMBL6494115 0.79 HTR2C (0.40) HTR2CHTR2AHTR2BPNMT
SCHEMBL6850359 0.79 HTR2C (0.60) HTR2CHTR2AHTR2BPNMTHTR6
SCHEMBL6481894 0.79 HTR2C (0.42) HTR2CHTR2AHTR2BHTR6

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
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
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

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 34/4885HTR2B 86/4885
US-20020198190-A1 Tetracyclic azepinoindole compounds TPH1, AZI2, CYP1A2 HTR2C 24/4885HTR2A 43/4885HTR2B 184/4885

“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.