SCHEMBL9892374

SCHEMBL9892374

O=C(Nc1nc(-c2ccccc2)ns1)[C@@H]1CCC(=O)N1c1ncc(C(F)(F)F)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.50
MPL P40238 1/20 0.45
ADORA3 P0DMS8 4/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
CHRM4 P08173 1/20 0.44
HDAC6 Q9UBN7 3/20 0.44
TP53 P04637 1/20 0.43
ALOX15 P16050 1/20 0.43
MAPK1 P28482 1/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CHRM5 P08912 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
USP36 Q9P275 1/20 0.42
CNR1 P21554 2/20 0.41

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
SCHEMBL9892009 0.87 HDAC6 (0.47) CNR2ADORA3CYP2C9CYP2C19HDAC6
SCHEMBL13257009 0.84 CNR2 (0.54) CNR2MPLADORA3GAAMAPT
SCHEMBL9892036 0.82 CNR2 (0.50) CNR2MPLADORA3GAAMAPT
SCHEMBL9892007 0.79 ADORA3 (0.58) CNR2ADORA3HDAC6TP53ALOX15
SCHEMBL2568370 0.77 NPC1 (0.51) CNR2GAAMAPTCYP2C9CYP2C19
SCHEMBL2568372 0.77 NPC1 (0.51) CNR2GAAMAPTCYP2C9CYP2C19
SCHEMBL9892248 0.76 HDAC6 (0.53) CNR2ADORA3CYP2C9CYP2C19HDAC6
SCHEMBL13285316 0.74 SMN1; SMN2 (0.50) CNR2GAAMAPTCYP2C9CYP2C19
SCHEMBL9892006 0.74 CNR2 (0.72) CNR2CYP2C9CYP2C19CNR1
SCHEMBL9892247 0.73 ADORA3 (0.51) CNR2ADORA3MAPTCYP2C9CYP2C19

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2384320-B1 PYRROLIDINE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INT (DE) 2015-03-04 EP disclosed
US-8629157-B2 Pyrrolidine compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-14 US disclosed
US-8629157-B2 Pyrrolidine compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-14 US disclosed
US-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 US disclosed
US-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 US disclosed
WO-2010077836-A2 PYRROLIDINE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-08 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-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 CNR2 1/4885MPL 447/4885ADORA3 215/4885

“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.