SCHEMBL9892389

SCHEMBL9892389

O=C(Nc1nc2cc(Cl)ccc2n1CC1CCOCC1)[C@@H]1CCC(=O)N1c1ccc(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 11/20 0.48
P2RX7 Q99572 4/20 0.42
KDM4E B2RXH2 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
EP300 Q09472 1/20 0.39
CNR1 P21554 2/20 0.38
BRD4 O60885 1/20 0.38
CYP2C8 P10632 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
BACE1 P56817 1/20 0.37
ALOX5 P09917 1/20 0.37

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
SCHEMBL2579492 0.84 CNR2 (0.47) CNR2KDM4ENPSR1CNR1BRD4
SCHEMBL9893013 0.80 KDM4E (0.50) CNR2KDM4ENPSR1CNR1BACE1
SCHEMBL16480410 0.80 CASP1 (0.48) CNR2KDM4ENPSR1CNR1CYP2C9
SCHEMBL9892143 0.79 CNR2 (0.60) CNR2KDM4ENPSR1CNR1ALOX5
SCHEMBL9893088 0.78 PFKFB2 (0.46) CNR2KDM4ENPSR1CNR1BACE1
SCHEMBL9891924 0.77 CNR2 (0.47) CNR2CNR1
SCHEMBL9103411 0.75 ALDH1A1 (0.51) CNR2KDM4ENPSR1CNR1
SCHEMBL9891935 0.75 P2RX7 (0.53) CNR2P2RX7KDM4E
SCHEMBL9891951 0.73 CNR2 (0.60) CNR2P2RX7KDM4ECNR1
SCHEMBL9893076 0.71 CNR2 (0.53) CNR2P2RX7KDM4ECYP2C8CYP2C9

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CNR2 1/4885P2RX7 26/4885KDM4E 2527/4885

“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.