SCHEMBL4129714

SCHEMBL4129714

CC(C)C[C@H](NC(=O)c1cc2ncccc2s1)C(=O)NCCCCNS(=O)(=O)c1ccc(Cl)cc1Cl

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 4/20 0.60
GRIN3B O60391 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2C Q14957 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
CTSL P07711 2/20 0.40
NAMPT P43490 1/20 0.38
TAS1R3 Q7RTX0 2/20 0.37
TAS1R1 Q7RTX1 2/20 0.37
CAPN1 P07384 3/20 0.37
CTSK P43235 2/20 0.37
CTSS P25774 2/20 0.37
CTSB P07858 1/20 0.36
CNR2 P34972 1/20 0.36
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35

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
SCHEMBL4127488 0.88 TRPV4 (0.76) TRPV4CTSLTAS1R3TAS1R1CTSK
SCHEMBL4127926 0.88 TRPV4 (0.76) TRPV4CTSLTAS1R3TAS1R1CTSK
SCHEMBL4552230 0.86 TRPV4 (0.76) TRPV4CTSLTAS1R3TAS1R1CTSK
SCHEMBL4147519 0.81 TRPV4 (0.66) TRPV4CTSLTAS1R3TAS1R1CAPN1
SCHEMBL4128542 0.80 TRPV4 (0.66) TRPV4TAS1R3TAS1R1CTSSCTSB
SCHEMBL13872379 0.80 TRPV4 (0.66) TRPV4TAS1R3TAS1R1CTSSCTSB
SCHEMBL4140919 0.80 TRPV4 (0.65) TRPV4TAS1R3TAS1R1CTSKCTSS
SCHEMBL4127497 0.80 TRPV4 (0.65) TRPV4TAS1R3TAS1R1CTSSCTSB
SCHEMBL13872611 0.80 TRPV4 (0.65) TRPV4TAS1R3TAS1R1CTSSCTSB
SCHEMBL4132563 0.79 TRPV4 (0.45) TRPV4MAPTCTSLCAPN1CTSK

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 1/4885GRIN3B 461/4885GRIN1 476/4885

“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.