SCHEMBL4127971

SCHEMBL4127971

CC(C)C[C@H](NC(=O)c1cn2ccccc2n1)C(=O)NCCCCNS(=O)(=O)c1ccc(Cl)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 2/20 0.49
DRD2 P14416 12/20 0.43
DRD3 P35462 12/20 0.43
DRD4 P21917 2/20 0.40
CTSL P07711 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CAPN1 P07384 2/20 0.38

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
SCHEMBL13872514 1.00 TRPV4 (0.49) TRPV4DRD2DRD3DRD4CTSL
SCHEMBL4132366 0.88 TRPV4 (0.49) TRPV4CTSLMAPTCAPN1
SCHEMBL14605683 0.86 TRPV4 (0.47) TRPV4CTSLCAPN1
SCHEMBL4132372 0.86 TRPV4 (0.47) TRPV4CTSLCAPN1
SCHEMBL13872524 0.86 TRPV4 (0.47) TRPV4CTSLCAPN1
SCHEMBL4136044 0.79 TRPV4 (0.52) TRPV4CTSL
SCHEMBL4139857 0.78 TRPV4 (0.55) TRPV4CTSL
SCHEMBL4127488 0.78 TRPV4 (0.76) TRPV4DRD2DRD3CTSL
SCHEMBL4127926 0.78 TRPV4 (0.76) TRPV4DRD2DRD3CTSL
SCHEMBL4552230 0.77 TRPV4 (0.76) TRPV4DRD2DRD3CTSL

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 1/4885DRD2 829/4885DRD3 875/4885

“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.