SCHEMBL9892090

SCHEMBL9892090

O=C(Nc1nc(-c2ccccc2)ns1)[C@@H]1CCCN1c1ccc(Cl)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 6/20 0.57
CNR2 P34972 4/20 0.55
TP53 P04637 2/20 0.55
ALOX15 P16050 1/20 0.55
MAPK1 P28482 1/20 0.55
CASP1 P29466 1/20 0.55
CASP7 P55210 1/20 0.55
HSD17B10 Q99714 1/20 0.55
CCNE1 P24864 1/20 0.54
CDK2 P24941 1/20 0.54
CDK3 Q00526 1/20 0.54
PORCN Q9H237 2/20 0.50
CNR1 P21554 2/20 0.50
CYP2C8 P10632 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
SMN1; SMN2 Q16637 5/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48

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
SCHEMBL9891969 0.82 CCNE1 (0.52) CNR2TP53ALOX15MAPK1CCNE1
SCHEMBL9892007 0.80 ADORA3 (0.58) ADORA3CNR2TP53ALOX15MAPK1
SCHEMBL9892089 0.80 ADORA3 (0.55) ADORA3CNR2CCNE1CDK2CDK3
SCHEMBL13284774 0.79 CCNE1 (0.51) CNR2TP53ALOX15MAPK1HSD17B10
SCHEMBL9891937 0.77 SMN1; SMN2 (0.60) CNR2MAPK1HSD17B10CCNE1CDK2
SCHEMBL13257009 0.76 CNR2 (0.54) ADORA3CNR2TP53ALOX15MAPK1
SCHEMBL9892079 0.75 CCNE1 (0.54) CNR2TP53ALOX15MAPK1CCNE1
SCHEMBL9893102 0.75 CNR2 (0.60) CNR2HSD17B10CCNE1CDK2CDK3
SCHEMBL2573951 0.75 ADORA3 (0.54) ADORA3CNR2TP53ALOX15MAPK1
SCHEMBL9891970 0.74 CCNE1 (0.53) CNR2TP53ALOX15MAPK1CCNE1

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-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

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 ADORA3 215/4885CNR2 1/4885TP53 4450/4885

“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.