SCHEMBL4187937

SCHEMBL4187937

CCCC[C@H](NC(=O)c1cccc(C#N)c1)C(=O)NCC1CN(S(=O)(=O)c2ccc(Cl)cc2Cl)CCO1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.43
ACLY P53396 1/20 0.39
KMT2A Q03164 3/20 0.38
TRPV4 Q9HBA0 8/20 0.38
RAB9A P51151 1/20 0.37
CNR2 P34972 1/20 0.37
MEN1 O00255 1/20 0.36
CYP3A4 P08684 1/20 0.36
KCNH2 Q12809 1/20 0.36

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
SCHEMBL4178178 0.90 ACLY (0.43) CNR1ACLYKMT2ATRPV4RAB9A
SCHEMBL4188984 0.89 CTSL (0.43) CNR1ACLYKMT2ATRPV4RAB9A
SCHEMBL4179274 0.88 CNR1 (0.43) CNR1KMT2ARAB9A
SCHEMBL4183283 0.86 CCR1 (0.46) CNR1ACLYKMT2ATRPV4RAB9A
SCHEMBL4178660 0.84 SMN1; SMN2 (0.40) ACLYKMT2ATRPV4RAB9AMEN1
SCHEMBL4175687 0.84 CNR1 (0.44) CNR1KMT2ARAB9A
SCHEMBL4192169 0.81 TRPV4 (0.51) ACLYTRPV4RAB9A
SCHEMBL4188373 0.81 CTSS (0.39) RAB9A
SCHEMBL4180784 0.81 CCR1 (0.46) ACLYKMT2ATRPV4RAB9AMEN1
SCHEMBL4178721 0.80 KMT2A (0.39) ACLYKMT2ARAB9AMEN1

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-20090124619-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2009-05-14 US claimed
EP-1869026-A1 NOVEL COMPOUNDS SmithKline Beecham Corporation (US) 2007-12-26 EP claimed
WO-2006105475-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-10-05 WO claimed
US-20090124619-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2009-05-14 US disclosed
EP-1869026-A1 NOVEL COMPOUNDS SmithKline Beecham Corporation (US) 2007-12-26 EP disclosed
WO-2006105475-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-10-05 WO 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-20090124619-A1 NOVEL COMPOUNDS TRPV4, TRPC4, TRPV1 CNR1 21/4885ACLY 4455/4885KMT2A 3870/4885

“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.