SCHEMBL4139220

SCHEMBL4139220

CC(C)C[C@H](NC(=O)N(C)C1CCCC1)C(=O)NCCCCNS(=O)(=O)c1ccc(F)cc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 3/20 0.47
CACNA1B Q00975 2/20 0.38
CNR2 P34972 5/20 0.37
TRPV4 Q9HBA0 1/20 0.37
CNR1 P21554 1/20 0.36
CTSL P07711 2/20 0.36
EPHX2 P34913 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
EDNRA P25101 2/20 0.35
FPR2 P25090 1/20 0.35
EDNRB P24530 1/20 0.35
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
SCN9A Q15858 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
SCHEMBL4127270 0.99 CAPN1 (0.46) CAPN1CACNA1BCNR2TRPV4CNR1
SCHEMBL4130510 0.87 CAPN1 (0.47) CAPN1CACNA1BCNR2CNR1CTSL
SCHEMBL4131294 0.87 CAPN1 (0.47) CAPN1CACNA1BCNR2CNR1CTSL
SCHEMBL4133234 0.86 CAPN1 (0.46) CAPN1CACNA1BCNR2CNR1EPHX2
SCHEMBL4128166 0.86 CAPN1 (0.46) CAPN1CACNA1BCNR2CNR1CTSL
SCHEMBL13872588 0.86 CAPN1 (0.46) CAPN1CACNA1BCNR2CNR1CTSL
SCHEMBL4128693 0.86 CAPN1 (0.46) CAPN1CACNA1BCNR2CNR1EPHX2
SCHEMBL14605638 0.86 CAPN1 (0.46) CAPN1CACNA1BCNR2CNR1EPHX2
SCHEMBL5439592 0.85 CAPN1 (0.45) CAPN1CACNA1BCNR2CNR1CTSL
SCHEMBL4129702 0.85 CAPN1 (0.45) CAPN1CACNA1BCNR2CNR1CTSL

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 CAPN1 2031/4885CACNA1B 174/4885CNR2 57/4885

“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.