SCHEMBL4132563

SCHEMBL4132563

Cc1c(C(=O)N[C@@H](CC(C)C)C(=O)NCCCCNS(=O)(=O)c2ccc(Cl)cc2Cl)oc2cccnc12

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 3/20 0.45
CTSK P43235 5/20 0.41
CTSL P07711 3/20 0.39
CTSS P25774 3/20 0.38
CTSB P07858 1/20 0.38
CAPN1 P07384 2/20 0.37
SLC40A1 Q9NP59 3/20 0.35
HTR7 P34969 1/20 0.34
HTR6 P50406 1/20 0.34
PSMB5 P28074 1/20 0.34
CCR1 P32246 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL4139857 0.80 TRPV4 (0.55) TRPV4CTSKCTSLCTSSCTSB
SCHEMBL14605756 0.79 CTSL (0.38) TRPV4CTSKCTSLCTSSCTSB
SCHEMBL4129714 0.79 TRPV4 (0.60) TRPV4CTSKCTSLCTSSCTSB
SCHEMBL4133550 0.78 CTSK (0.47) TRPV4CTSKCTSLCTSSCTSB
SCHEMBL4132366 0.76 TRPV4 (0.49) TRPV4CTSKCTSLCTSSCAPN1
SCHEMBL4136473 0.76 HTT (0.47) TRPV4MAPT
SCHEMBL4135455 0.75 TRPV4 (0.50) TRPV4CTSKCTSLCAPN1MAPT
SCHEMBL4127510 0.74 TRPV4 (0.47) TRPV4CAPN1PSMB5MAPT
SCHEMBL4139657 0.74 CAPN1 (0.51) TRPV4CTSKCTSLCTSSCTSB
SCHEMBL4140851 0.74 TRPV4 (0.48) TRPV4CTSLCAPN1MAPT

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 7 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
EP-1940785-A2 ACYCLIC 1,4-DIAMINES AND USES THEREOF SmithKline Beecham Corporation (US) 2008-07-09 EP disclosed
WO-2007030761-A2 ACYCLIC 1,4-DIAMINES AND USES THEREOF SMITHKLINE BEECHAM CORPORATION (US) 2007-03-15 WO 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 1/4885CTSK 3473/4885CTSL 3815/4885

“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.