SCHEMBL4120213

SCHEMBL4120213

CNC(=O)[C@H](CC(C)C)NC(=O)c1nc(C2CCCC2)n2c1CN(C)CC2

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 10/20 0.43
CNR1 P21554 2/20 0.39
PSMB8 P28062 2/20 0.35
PSMB9 P28065 2/20 0.35
PSMB5 P28074 1/20 0.35
MMP1 P03956 3/20 0.33
RAB9A P51151 1/20 0.33
TAOK1 Q7L7X3 1/20 0.33
TAOK3 Q9H2K8 1/20 0.33
CTSK P43235 2/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
OGFRL1 Q5TC84 1/20 0.32
MMP9 P14780 2/20 0.32
MMP14 P50281 1/20 0.32
CTSL P07711 1/20 0.32
CTSS P25774 1/20 0.32

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
SCHEMBL4120221 1.00 CNR2 (0.43) CNR2CNR1PSMB8PSMB9PSMB5
SCHEMBL1176346 0.94 CNR2 (0.48) CNR2CNR1PSMB8PSMB9PSMB5
SCHEMBL1176344 0.94 CNR2 (0.48) CNR2CNR1PSMB8PSMB9PSMB5
SCHEMBL1175191 0.90 CNR2 (0.42) CNR2CNR1MMP1RAB9ACTSK
SCHEMBL1175308 0.84 CNR2 (0.41) CNR2CNR1PSMB8PSMB9PSMB5
SCHEMBL1175311 0.84 CNR2 (0.41) CNR2CNR1PSMB8PSMB9PSMB5
SCHEMBL1174255 0.83 CNR2 (0.44) CNR2CNR1MMP1RAB9AMMP9
SCHEMBL1174253 0.83 CNR2 (0.44) CNR2CNR1MMP1RAB9AMMP9
SCHEMBL12883456 0.83 CNR2 (0.44) CNR2CNR1MMP1RAB9AMMP9
SCHEMBL1174498 0.82 CNR2 (0.60) CNR2CNR1

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-8431565-B2 Substituted imidazoheterocycles CARA THERAPEUTICS, INC. (US) 2013-04-30 US disclosed
US-20090149450-A1 SUBSTITUTED IMIDAZOHETEROCYCLES CARA THERAPEUTICS, INC. (US) 2009-06-11 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-20090149450-A1 SUBSTITUTED IMIDAZOHETEROCYCLES CNR1, CNR2, TRPV1 CNR2 2/4885CNR1 1/4885PSMB8 2966/4885

“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.