SCHEMBL2078552

SCHEMBL2078552

CC1CNCCc2ncccc21

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 17/20 0.56
HTR2A P28223 15/20 0.56
HTR2B P41595 14/20 0.56
ADRB1 P08588 1/20 0.44
HTR1A P08908 1/20 0.44
ADRA2A P08913 1/20 0.44
ADRA2B P18089 1/20 0.44
ADRA2C P18825 1/20 0.44
CNR1 P21554 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
HRH1 P35367 1/20 0.44
KCNH2 Q12809 1/20 0.44

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
SCHEMBL2078547 1.00 HTR2C (0.56) HTR2CHTR2AHTR2BADRB1HTR1A
SCHEMBL17760134 0.83 HTR2C (0.42) HTR2CHTR2AHTR2BADRB1HTR1A
SCHEMBL30640672 0.77 CYP19A1 (0.43) HTR2CHTR2AHTR2B
SCHEMBL10054051 0.77 CYP19A1 (0.43) HTR2CHTR2AHTR2B
SCHEMBL15761050 0.77 CYP19A1 (0.43) HTR2CHTR2AHTR2B
SCHEMBL25518406 0.77 CYP19A1 (0.43) HTR2CHTR2AHTR2B
SCHEMBL31569035 0.76 MAOA (0.39) HTR2CHTR2AHTR2B
SCHEMBL31569493 0.76 MAOA (0.39) HTR2CHTR2AHTR2B
SCHEMBL790256 0.76 MAOA (0.39) HTR2CHTR2AHTR2B
SCHEMBL31568999 0.76 MAOA (0.39) HTR2CHTR2AHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7897595-B2 Pyridoazepine derivatives FOREST LABORATORIES HOLDINGS LIMITED (BM) 2011-03-01 US disclosed
US-20070281918-A1 PYRIDOAZEPINE DERIVATIVES FOREST LABORATORIES HOLDINGS LIMITED (BM) 2007-12-06 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 (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-20070281918-A1 PYRIDOAZEPINE DERIVATIVES HTR2C, HTR5A, HTR2A HTR2C 1/4885HTR2A 3/4885HTR2B 8/4885

“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.