SCHEMBL9891971

SCHEMBL9891971

O=C(NCCC1CCOCC1)[C@@H]1CCCN1c1ccc(Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 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
EPHX2 P34913 1/20 0.49
BACE1 P56817 2/20 0.46
CHRM4 P08173 2/20 0.43
CHRM2 P08172 1/20 0.43
CHRM5 P08912 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
CCNE1 P24864 1/20 0.43
CDK2 P24941 1/20 0.43
CDK3 Q00526 1/20 0.43
POLB P06746 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
F2 P00734 1/20 0.40
KDM1A O60341 1/20 0.40
MAOA P21397 1/20 0.40

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
SCHEMBL9891946 0.90 CNR2 (0.50) CNR2CNR1CYP2C8CYP2C9CYP2C19
SCHEMBL9891932 0.89 CNR1 (0.49) CNR2CNR1CYP2C8CYP2C9CYP2C19
SCHEMBL9891967 0.80 CNR2 (0.52) CNR2CNR1CYP2C8CYP2C9CYP2C19
SCHEMBL9891978 0.78 CNR2 (0.53) CNR2CNR1CYP2C8CYP2C9CYP2C19
SCHEMBL13285007 0.78 CNR2 (0.53) CNR2CNR1CYP2C8CYP2C9CYP2C19
SCHEMBL9103444 0.74 CNR2 (0.61) CNR2CNR1CYP2C8CYP2C9CYP2C19
SCHEMBL15665095 0.74 POLB (0.60) CYP2C9CYP2C19POLBF2
SCHEMBL13285021 0.73 HSD11B1 (0.59) CNR2CNR1EPHX2CHRM4CHRM3
SCHEMBL9891975 0.73 BACE1 (0.48) CNR2CNR1CYP2C8CYP2C9CYP2C19
SCHEMBL26246254 0.73 FFAR1 (0.50) CNR2CNR1CYP2C8CYP2C9CYP2C19

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 CNR2 1/4885CNR1 2/4885CYP2C8 807/4885

“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.