SCHEMBL4140919

SCHEMBL4140919

CC(C)C[C@H](NC(=O)c1cc2ccccc2s1)C(=O)NCCCCNS(=O)(=O)c1ccc(Br)cc1Cl

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 2/20 0.65
TAS1R3 Q7RTX0 2/20 0.50
TAS1R1 Q7RTX1 2/20 0.50
CTSB P07858 1/20 0.47
CTSS P25774 1/20 0.47
CTSK P43235 5/20 0.46
OPRM1 P35372 2/20 0.42
RAB9A P51151 1/20 0.41
UTS2R Q9UKP6 2/20 0.41
TACR2 P21452 4/20 0.40

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
SCHEMBL4127926 0.92 TRPV4 (0.76) TRPV4TAS1R3TAS1R1CTSBCTSS
SCHEMBL4127488 0.92 TRPV4 (0.76) TRPV4TAS1R3TAS1R1CTSBCTSS
SCHEMBL4147519 0.91 TRPV4 (0.66) TRPV4TAS1R3TAS1R1CTSBCTSS
SCHEMBL4552230 0.91 TRPV4 (0.76) TRPV4TAS1R3TAS1R1CTSBCTSS
SCHEMBL5434875 0.90 TRPV4 (0.66) TRPV4TAS1R3TAS1R1CTSBCTSS
SCHEMBL5434132 0.87 TRPV4 (0.86) TRPV4TAS1R3TAS1R1CTSBCTSS
SCHEMBL4135774 0.86 TRPV4 (0.57) TRPV4TAS1R3TAS1R1CTSBCTSS
SCHEMBL4128542 0.85 TRPV4 (0.66) TRPV4TAS1R3TAS1R1CTSBCTSS
SCHEMBL13872379 0.85 TRPV4 (0.66) TRPV4TAS1R3TAS1R1CTSBCTSS
SCHEMBL4135447 0.84 TRPV4 (0.57) TRPV4TAS1R3TAS1R1CTSBCTSS

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 1/4885TAS1R3 513/4885TAS1R1 487/4885

“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.