SCHEMBL9891940

SCHEMBL9891940

O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)[C@@H]1CCC(=O)N1c1ccc(Cl)cc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.58
RAB9A P51151 1/20 0.55
ABL1 P00519 2/20 0.54
MAPK1 P28482 3/20 0.53
HTT P42858 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
LMNA P02545 2/20 0.53
MAPT P10636 2/20 0.53
ALOX12 P18054 1/20 0.53
NPSR1 Q6W5P4 2/20 0.52
GSTO1 P78417 1/20 0.51
KMT2A Q03164 4/20 0.51
MEN1 O00255 2/20 0.50
KCNQ1 P51787 1/20 0.50
KDM4E B2RXH2 2/20 0.48
ATM Q13315 1/20 0.48
ALDH1A1 P00352 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48

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
SCHEMBL9891937 0.80 SMN1; SMN2 (0.60) CNR2RAB9AABL1MAPK1HTT
SCHEMBL16542486 0.78 CNR2 (0.56) CNR2RAB9AMAPK1SMN1; SMN2LMNA
SCHEMBL9108690 0.78 MAPT (0.63) CNR2RAB9AMAPK1HTTSMN1; SMN2
SCHEMBL9891951 0.78 CNR2 (0.60) CNR2RAB9AMAPK1HTTSMN1; SMN2
SCHEMBL15689170 0.78 ABL1 (0.74) RAB9AABL1MAPK1HTTSMN1; SMN2
SCHEMBL9892007 0.77 ADORA3 (0.58) CNR2RAB9AMAPK1HTTSMN1; SMN2
SCHEMBL6255773 0.76 SMN1; SMN2 (0.70) RAB9AABL1MAPK1HTTSMN1; SMN2
SCHEMBL9891945 0.76 TRPV1 (0.56) CNR2RAB9AABL1MAPK1HTT
SCHEMBL9891957 0.75 KMT2A (0.59) CNR2HTTLMNANPSR1KMT2A
SCHEMBL9892191 0.75 CNR2 (0.55) CNR2RAB9ASMN1; 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 CNR2 1/4885RAB9A 2299/4885ABL1 2669/4885

“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.