SCHEMBL9892089

SCHEMBL9892089

O=C(Nc1n[nH]c(-c2ccccc2)n1)[C@@H]1CCCN1c1ccc(Cl)cc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 12/20 0.55
ADORA2A P29274 11/20 0.55
ADORA1 P30542 6/20 0.53
CCNE1 P24864 1/20 0.50
CDK2 P24941 1/20 0.50
CDK3 Q00526 1/20 0.50
CNR2 P34972 3/20 0.48
PORCN Q9H237 2/20 0.48
CNR1 P21554 2/20 0.48
CYP2C8 P10632 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
CYP1A2 P05177 1/20 0.47
F2 P00734 1/20 0.46
F12 P00748 1/20 0.46

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
SCHEMBL9892090 0.80 ADORA3 (0.57) ADORA3CCNE1CDK2CDK3CNR2
SCHEMBL9891969 0.76 CCNE1 (0.52) CCNE1CDK2CDK3CNR2PORCN
SCHEMBL13284774 0.73 CCNE1 (0.51) CCNE1CDK2CDK3CNR2PORCN
SCHEMBL9106117 0.71 CNR2 (0.52) CCNE1CDK2CDK3CNR2PORCN
SCHEMBL9891937 0.71 SMN1; SMN2 (0.60) CCNE1CDK2CDK3CNR2CNR1
SCHEMBL15665095 0.71 POLB (0.60) CYP2C9CYP2C19F2
SCHEMBL3708048 0.70 FFAR1 (0.53) CCNE1CDK2CDK3CNR2CNR1
SCHEMBL1274844 0.70 FFAR1 (0.53) CCNE1CDK2CDK3CNR2CNR1
SCHEMBL9104214 0.70 FFAR1 (0.53) CCNE1CDK2CDK3CNR2CNR1
SCHEMBL9891944 0.69 CNR2 (0.56) CCNE1CDK2CDK3CNR2CNR1

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 215/4885ADORA2A 123/4885ADORA1 278/4885

“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.