SCHEMBL4180784

SCHEMBL4180784

CC(C)C[C@H](NC(=O)c1ccccc1)C(=O)NCC1CN(S(=O)(=O)c2ccc(Cl)cc2Cl)CCO1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.46
ACLY P53396 1/20 0.43
TRPV4 Q9HBA0 2/20 0.43
CTSL P07711 5/20 0.42
CTSK P43235 4/20 0.42
CTSS P25774 3/20 0.42
CTSB P07858 2/20 0.42
KMT2A Q03164 3/20 0.41
POLB P06746 1/20 0.41
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
USP5 P45974 1/20 0.40
RAB9A P51151 1/20 0.39

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
SCHEMBL4183283 0.92 CCR1 (0.46) CCR1ACLYTRPV4KMT2APOLB
SCHEMBL4178178 0.90 ACLY (0.43) CCR1ACLYTRPV4KMT2APOLB
SCHEMBL4183297 0.89 CCR1 (0.50) CCR1CTSLCTSKCTSSCTSB
SCHEMBL4178078 0.89 CTSL (0.41) ACLYTRPV4CTSLCTSKCTSS
SCHEMBL4185675 0.87 TRPV4 (0.60) CCR1ACLYTRPV4CTSKCTSS
SCHEMBL4178713 0.87 TRPV4 (0.60) CCR1ACLYTRPV4CTSKCTSS
SCHEMBL4185931 0.87 TRPV4 (0.60) CCR1ACLYTRPV4CTSKCTSS
SCHEMBL4180506 0.87 ACLY (0.45) ACLYTRPV4KMT2APOLBMEN1
SCHEMBL5493100 0.86 TRPV4 (0.58) CCR1ACLYTRPV4CTSKCTSS
SCHEMBL4185698 0.86 KMT2A (0.40) ACLYTRPV4CTSLCTSKCTSS

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 CCR1 283/4885ACLY 4455/4885TRPV4 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.