SCHEMBL3077387

SCHEMBL3077387

O=C1c2c(-c3ccc(Cl)cc3Cl)cccc2C2CNCCC12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 7/20 0.39
HTR2A P28223 6/20 0.39
HTR2B P41595 5/20 0.39
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
HTR6 P50406 1/20 0.36
EDNRB P24530 1/20 0.35
EDNRA P25101 1/20 0.35
REN P00797 1/20 0.35
CYP3A4 P08684 1/20 0.35
KCNH2 Q12809 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34
HTT P42858 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
SCHEMBL3077383 1.00 HTR2C (0.39) HTR2CHTR2AHTR2BMAPK1KMT2A
SCHEMBL3075858 0.78 HTR2C (0.39) HTR2CHTR2AHTR2BMAPK1KMT2A
SCHEMBL3075861 0.78 HTR2C (0.39) HTR2CHTR2AHTR2BMAPK1KMT2A
SCHEMBL3075004 0.76 HTR2C (0.44) HTR2CHTR2AHTR2BMAPK1KMT2A
SCHEMBL3075007 0.76 HTR2C (0.44) HTR2CHTR2AHTR2BMAPK1KMT2A
SCHEMBL3087690 0.75 MAPK1 (0.41) HTR2CHTR2AMAPK1KMT2ACHRM1
SCHEMBL13141392 0.75 MAPK1 (0.41) HTR2CHTR2AMAPK1KMT2ACHRM1
SCHEMBL3087693 0.75 MAPK1 (0.41) HTR2CHTR2AMAPK1KMT2ACHRM1
SCHEMBL3072510 0.73 DPP4 (0.48) HTR2CHTR2AHTR2BALDH1A1MAPT
SCHEMBL3072507 0.73 DPP4 (0.48) HTR2CHTR2AHTR2BALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7795436-B2 Substituted tricyclic heterocycles as serotonin receptor agonists and antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2010-09-14 US claimed
US-20070049613-A1 Substituted tricyclic heterocycles as serotonin receptor agonists and antagonists BRISTOL-MYERS SQUIBB COMPANY 2007-03-01 US claimed
US-7795436-B2 Substituted tricyclic heterocycles as serotonin receptor agonists and antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2010-09-14 US disclosed
US-20070049613-A1 Substituted tricyclic heterocycles as serotonin receptor agonists and antagonists BRISTOL-MYERS SQUIBB COMPANY 2007-03-01 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-20070049613-A1 Substituted tricyclic heterocycles as serotonin receptor agonists and antagonists HTR2B, HTR2C, HTR1A HTR2C 2/4885HTR2A 8/4885HTR2B 1/4885

“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.