SCHEMBL3072513

SCHEMBL3072513

Clc1ccc(-c2ccc3c(c2)[C@@H]2CNCC[C@@H]2C3)c(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 12/20 0.46
HTR2A P28223 12/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
HTR2B P41595 9/20 0.37
KCNH2 Q12809 3/20 0.37
ADRB1 P08588 1/20 0.37
HTR1A P08908 1/20 0.37
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
CNR1 P21554 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
HRH1 P35367 1/20 0.37
AHR P35869 1/20 0.35

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
SCHEMBL3072516 1.00 HTR2C (0.46) HTR2CHTR2AMAPK1KMT2AHTR2B
SCHEMBL3075007 0.77 HTR2C (0.44) HTR2CHTR2AMAPK1KMT2AHTR2B
SCHEMBL3075004 0.77 HTR2C (0.44) HTR2CHTR2AMAPK1KMT2AHTR2B
SCHEMBL3075861 0.77 HTR2C (0.39) HTR2CHTR2AMAPK1KMT2AHTR2B
SCHEMBL3075858 0.77 HTR2C (0.39) HTR2CHTR2AMAPK1KMT2AHTR2B
SCHEMBL905993 0.76 MAPK1 (0.40) HTR2CHTR2AMAPK1KMT2AKCNH2
SCHEMBL12029844 0.76 MAPK1 (0.40) HTR2CHTR2AMAPK1KMT2AKCNH2
SCHEMBL6217518 0.76 MAPK1 (0.40) HTR2CHTR2AMAPK1KMT2AKCNH2
SCHEMBL6645750 0.75 HTR2C (0.38) HTR2CHTR2AMAPK1KMT2AKCNH2
SCHEMBL6215962 0.73 HTR2C (0.43) HTR2CHTR2AMAPK1KMT2AHTR2B

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 8 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-7795436-B2 Substituted tricyclic heterocycles as serotonin receptor agonists and antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2010-09-14 US disclosed
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
US-20070049613-A1 Substituted tricyclic heterocycles as serotonin receptor agonists and antagonists BRISTOL-MYERS SQUIBB COMPANY 2007-03-01 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 8/4885MAPK1 2475/4885

“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.