SCHEMBL4190109

SCHEMBL4190109

N#Cc1cccc(C(=O)N[C@@H](CCc2ccccc2)C(=O)NCC2CN(S(=O)(=O)c3ccccc3C#N)CCO2)c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.41
ROCK2 O75116 1/20 0.40
RAB9A P51151 2/20 0.38
KMT2A Q03164 2/20 0.36
USP30 Q70CQ3 1/20 0.36
ALDH1A1 P00352 2/20 0.36
TSHR P16473 1/20 0.36
ALOX12 P18054 1/20 0.36
ACLY P53396 1/20 0.36
MAPK1 P28482 1/20 0.35
S1PR3 Q99500 1/20 0.35
CTSV O60911 1/20 0.35
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35
CTSS P25774 1/20 0.35
GAA P10253 1/20 0.35
KDM4E B2RXH2 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
SCHEMBL4183292 0.94 USP30 (0.39) RAB9AKMT2AUSP30ALDH1A1CTSL
SCHEMBL4175687 0.91 CNR1 (0.44) CNR1ROCK2RAB9AKMT2AALDH1A1
SCHEMBL4179274 0.90 CNR1 (0.43) CNR1ROCK2RAB9AKMT2AALDH1A1
SCHEMBL4181987 0.87 CTSL (0.43) RAB9AKMT2AALDH1A1TSHRCTSL
SCHEMBL5487435 0.85 CTSL (0.40) RAB9AKMT2AMAPK1CTSLCTSB
SCHEMBL4171105 0.84 CTSB (0.44) CTSBCTSS
SCHEMBL4188373 0.84 CTSS (0.39) RAB9AMAPK1CTSLCTSBCTSS
SCHEMBL4188236 0.83 CTSS (0.40) ALDH1A1MAPK1CTSLCTSBCTSS
SCHEMBL4171002 0.83 CTSL (0.49) USP30CTSLCTSBCTSS
SCHEMBL4188282 0.82 CTSS (0.54) KMT2AUSP30CTSVCTSLCTSB

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 21/4885ROCK2 3869/4885RAB9A 2302/4885

“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.