SCHEMBL9891973

SCHEMBL9891973

O=C(Nc1nc(C2CCCCC2)cs1)[C@@H]1CCCN1c1ccc(Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 1/20 0.52
CDK2 P24941 1/20 0.52
CDK3 Q00526 1/20 0.52
CNR2 P34972 4/20 0.50
CNR1 P21554 3/20 0.50
CYP2C8 P10632 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
SMN1; SMN2 Q16637 4/20 0.48
HTT P42858 3/20 0.48
NPSR1 Q6W5P4 2/20 0.48
LMNA P02545 4/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPT P10636 4/20 0.46
ALDH1A1 P00352 3/20 0.46
RAB9A P51151 2/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
HPGD P15428 1/20 0.46
KMT2A Q03164 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
SCHEMBL9891970 0.96 CCNE1 (0.53) CCNE1CDK2CDK3CNR2CNR1
SCHEMBL9891937 0.85 SMN1; SMN2 (0.60) CCNE1CDK2CDK3CNR2CNR1
SCHEMBL9892079 0.81 CCNE1 (0.54) CCNE1CDK2CDK3CNR2CNR1
SCHEMBL9893102 0.81 CNR2 (0.60) CCNE1CDK2CDK3CNR2CNR1
SCHEMBL9891945 0.81 TRPV1 (0.56) CCNE1CDK2CDK3CNR2CNR1
SCHEMBL9892080 0.74 LMNA (0.57) CCNE1CDK2CDK3CNR2CNR1
SCHEMBL9892090 0.73 ADORA3 (0.57) CCNE1CDK2CDK3CNR2CNR1
SCHEMBL11226342 0.72 ADORA1 (0.56) SMN1; SMN2HTTLMNAMAPTALDH1A1
SCHEMBL9891969 0.72 CCNE1 (0.52) CCNE1CDK2CDK3CNR2CNR1
SCHEMBL13256832 0.72 CNR2 (0.54) CNR2CNR1SMN1; SMN2LMNAMAPT

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 5 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
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 CCNE1 3739/4885CDK2 670/4885CDK3 1044/4885

“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.