SCHEMBL4133718

SCHEMBL4133718

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

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 10/20 0.41
HSD11B1 P28845 1/20 0.40
CAPN1 P07384 2/20 0.39
CNR1 P21554 4/20 0.38
MMP7 P09237 1/20 0.36
MAPK14 Q16539 1/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
HPGDS O60760 1/20 0.35
CCR1 P32246 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
SCHEMBL4133724 0.82 CAPN1 (0.42) CNR2HSD11B1CAPN1CNR1MMP7
SCHEMBL4128171 0.80 BCHE (0.41) CNR2CAPN1CNR1
SCHEMBL4139410 0.77 FPR2 (0.50) CAPN1
SCHEMBL4139408 0.77 CNR2 (0.36) CNR2HSD11B1CNR1MMP7
Hydrochloric Acid SCHEMBL4136144 0.76 CCR1 (0.45) CNR2CCR1
SCHEMBL4144369 0.76 ANPEP (0.50) CAPN1
SCHEMBL4129008 0.76 TRPV4 (0.57) CAPN1
SCHEMBL4139220 0.75 CAPN1 (0.47) CNR2CAPN1CNR1
SCHEMBL4130510 0.75 CAPN1 (0.47) CNR2HSD11B1CAPN1CNR1
SCHEMBL4131294 0.75 CAPN1 (0.47) CNR2CAPN1CNR1

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 3 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 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

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 CNR2 57/4885HSD11B1 4282/4885CAPN1 2031/4885

“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.