SCHEMBL4182779

SCHEMBL4182779

CC(C)[C@H](NC(=O)c1cc2ccccc2s1)C(=O)NCC1CN(S(=O)(=O)c2ccc(Cl)cc2Cl)CCO1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.49
TRPV4 Q9HBA0 2/20 0.48
POLB P06746 1/20 0.43
UTS2R Q9UKP6 1/20 0.41
LMNA P02545 2/20 0.40
RAB9A P51151 1/20 0.40
F10 P00742 2/20 0.40
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.39
ACLY P53396 1/20 0.39
CTSK P43235 6/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.37
CTSB P07858 1/20 0.37
CTSS P25774 1/20 0.37

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
SCHEMBL4180985 0.94 TRPV4 (0.46) CCR1TRPV4POLBUTS2RF10
SCHEMBL4185919 0.93 TRPV4 (0.49) CCR1TRPV4UTS2RF10ACLY
SCHEMBL4185675 0.90 TRPV4 (0.60) CCR1TRPV4UTS2RF10ACLY
SCHEMBL4178713 0.90 TRPV4 (0.60) CCR1TRPV4UTS2RF10ACLY
SCHEMBL4185931 0.90 TRPV4 (0.60) CCR1TRPV4UTS2RF10ACLY
SCHEMBL4179292 0.90 TRPV4 (0.51) CCR1TRPV4UTS2RF10ACLY
SCHEMBL4192463 0.89 TRPV4 (0.45) CCR1TRPV4F10ACLYKMT2A
SCHEMBL4192169 0.88 TRPV4 (0.51) CCR1TRPV4UTS2RRAB9AF10
SCHEMBL5493100 0.88 TRPV4 (0.58) CCR1TRPV4UTS2RF10ACLY
SCHEMBL4188976 0.88 TRPV4 (0.49) CCR1TRPV4RAB9AF10ACLY

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-20090124619-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2009-05-14 US 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 283/4885TRPV4 1/4885POLB 4819/4885

“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.