SCHEMBL9893076

SCHEMBL9893076

O=C(Nc1nc2cc(Cl)ccc2[nH]1)[C@@H]1CCC(=O)N1c1ccc(Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 9/20 0.53
P2RX7 Q99572 4/20 0.46
LPAR2 Q9HBW0 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
ABCB1 P08183 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
CYP2C8 P10632 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HRH4 Q9H3N8 1/20 0.41
KDM4E B2RXH2 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
SCHEMBL9891944 0.80 CNR2 (0.56) CNR2LPAR2NPC1RAB9ASMN1; SMN2
SCHEMBL9891951 0.78 CNR2 (0.60) CNR2P2RX7NPC1RAB9ASMN1; SMN2
SCHEMBL9108690 0.72 MAPT (0.63) CNR2P2RX7NPC1RAB9ASMN1; SMN2
SCHEMBL9893083 0.72 NPC1 (0.47) CNR2LPAR2NPC1RAB9ASMN1; SMN2
SCHEMBL9892139 0.71 CNR2 (0.86) CNR2LPAR2NPC1RAB9ASMN1; SMN2
SCHEMBL16254959 0.71 NPC1 (0.49) CNR2LPAR2NPC1RAB9ASMN1; SMN2
SCHEMBL11706151 0.71 NPC1 (0.72) NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL9891940 0.71 CNR2 (0.58) CNR2RAB9ASMN1; SMN2KDM4E
SCHEMBL9892389 0.71 CNR2 (0.48) CNR2P2RX7CYP2C8CYP2C9CYP2C19
SCHEMBL16542489 0.70 P2RX7 (0.49) CNR2P2RX7CYP2C8CYP2C9CYP2C19

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 3 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-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 1/4885P2RX7 26/4885LPAR2 124/4885

“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.