SCHEMBL4140703

SCHEMBL4140703

CC(C)C[C@@H](C(N)=O)N(CCCCNS(=O)(=O)c1ccc(F)cc1Cl)C(=O)CCc1cccc(Cl)c1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 4/20 0.37
CCR1 P32246 1/20 0.36
BMP1 P13497 1/20 0.35
AKR1C3 P42330 1/20 0.35
ADAM17 P78536 1/20 0.34
AOC3 Q16853 1/20 0.33
GAA P10253 1/20 0.33
TBXA2R P21731 1/20 0.33
LPAR2 Q9HBW0 1/20 0.33
CCR2 P41597 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MCL1 Q07820 1/20 0.33
ACLY P53396 1/20 0.33

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
SCHEMBL4141257 0.92 CCR1 (0.41) TRPV4CCR1BMP1ADAM17GAA
SCHEMBL5435367 0.91 BMP1 (0.40) TRPV4CCR1BMP1ADAM17ALDH1A1
SCHEMBL4130362 0.91 POLB (0.34) CCR1BMP1ADAM17CCR2ALDH1A1
SCHEMBL4145546 0.90 CCR1 (0.35) TRPV4CCR1BMP1ADAM17GAA
SCHEMBL4141037 0.88 BMP1 (0.37) TRPV4CCR1BMP1ADAM17MCL1
SCHEMBL5439390 0.84 BMP1 (0.36) TRPV4CCR1BMP1ADAM17CCR2
SCHEMBL4130817 0.83 CCR1 (0.38) CCR1BMP1ADAM17ALDH1A1
SCHEMBL4140995 0.82 CCR1 (0.38) CCR1BMP1ADAM17ALDH1A1
SCHEMBL4136278 0.82 BMP1 (0.39) TRPV4CCR1BMP1ADAM17GAA
SCHEMBL5439621 0.82 CCR1 (0.38) TRPV4CCR1BMP1ADAM17GAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090105259-A1 Acyclic 1,4-Diamines and Uses Thereof SMITHKLINE BEECHAM CORPORATION 2009-04-23 US claimed
US-20090105259-A1 Acyclic 1,4-Diamines and Uses Thereof SMITHKLINE BEECHAM CORPORATION 2009-04-23 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-20090105259-A1 Acyclic 1,4-Diamines and Uses Thereof TRPV4, TRPC4, TRPV1 TRPV4 1/4885CCR1 766/4885BMP1 2172/4885

“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.