SCHEMBL4128693

SCHEMBL4128693

CC(C)C[C@H](NC(=O)NCC1CCCCC1)C(=O)NCCCCNS(=O)(=O)c1ccc(F)cc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 2/20 0.46
CNR2 P34972 11/20 0.41
CNR1 P21554 7/20 0.41
FPR2 P25090 1/20 0.38
BCHE P06276 1/20 0.37
CACNA1B Q00975 1/20 0.37
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37
EPHX2 P34913 1/20 0.37

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
SCHEMBL14605638 1.00 CAPN1 (0.46) CAPN1CNR2CNR1FPR2BCHE
SCHEMBL13872588 0.99 CAPN1 (0.46) CAPN1CNR2CNR1FPR2CACNA1B
SCHEMBL4133234 0.90 CAPN1 (0.46) CAPN1CNR2CNR1FPR2CACNA1B
SCHEMBL4128166 0.90 CAPN1 (0.46) CAPN1CNR2CNR1BCHECACNA1B
SCHEMBL4130510 0.89 CAPN1 (0.47) CAPN1CNR2CNR1FPR2CACNA1B
SCHEMBL4131294 0.89 CAPN1 (0.47) CAPN1CNR2CNR1BCHECACNA1B
SCHEMBL5429669 0.88 CAPN1 (0.44) CAPN1CNR2CNR1BCHECACNA1B
SCHEMBL4135412 0.88 CAPN1 (0.45) CAPN1CNR2CNR1BCHE
SCHEMBL5439592 0.87 CAPN1 (0.45) CAPN1CNR2CNR1BCHECACNA1B
SCHEMBL4129702 0.87 CAPN1 (0.45) CAPN1CNR2CNR1CACNA1B

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 4 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

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 CAPN1 2031/4885CNR2 57/4885CNR1 67/4885

“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.