SCHEMBL4139617

SCHEMBL4139617

O=C(N[C@H](C(=O)NCCCCNS(=O)(=O)c1ccc(F)cc1Cl)c1ccccc1)c1cc2ccccc2s1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 2/20 0.48
BMP1 P13497 1/20 0.45
DRD2 P14416 4/20 0.43
DRD3 P35462 4/20 0.43
OPRM1 P35372 5/20 0.42
PIN1 Q13526 2/20 0.41
RAB9A P51151 1/20 0.41
CTSB P07858 1/20 0.40
CTSS P25774 1/20 0.40
TACR2 P21452 2/20 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
SCHEMBL4135447 0.88 TRPV4 (0.57) TRPV4BMP1DRD2DRD3OPRM1
SCHEMBL13872662 0.87 TRPV4 (0.52) TRPV4TACR2
SCHEMBL4147519 0.85 TRPV4 (0.66) TRPV4BMP1OPRM1PIN1RAB9A
SCHEMBL4136338 0.85 TRPV4 (0.54) TRPV4BMP1OPRM1PIN1RAB9A
SCHEMBL4135850 0.85 TRPV4 (0.50) TRPV4BMP1DRD2DRD3OPRM1
SCHEMBL4135852 0.85 TRPV4 (0.50) TRPV4BMP1DRD2DRD3OPRM1
SCHEMBL4133530 0.85 TRPV4 (0.48) TRPV4BMP1DRD2DRD3OPRM1
SCHEMBL4133524 0.85 TRPV4 (0.48) TRPV4BMP1DRD2DRD3OPRM1
SCHEMBL5434875 0.84 TRPV4 (0.66) TRPV4BMP1OPRM1PIN1RAB9A
SCHEMBL4129737 0.83 TRPV4 (0.52) TRPV4BMP1DRD2DRD3OPRM1

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 5 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
US-20090105259-A1 Acyclic 1,4-Diamines and Uses Thereof SMITHKLINE BEECHAM CORPORATION 2009-04-23 US disclosed
US-20090105259-A1 Acyclic 1,4-Diamines and Uses Thereof SMITHKLINE BEECHAM CORPORATION 2009-04-23 US disclosed
WO-2007030761-A2 ACYCLIC 1,4-DIAMINES AND USES THEREOF SMITHKLINE BEECHAM CORPORATION (US) 2007-03-15 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-20090105259-A1 Acyclic 1,4-Diamines and Uses Thereof TRPV4, TRPC4, TRPV1 TRPV4 1/4885BMP1 2172/4885DRD2 829/4885

“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.