SCHEMBL9892191

SCHEMBL9892191

COc1ccc(-c2nsc(NC(=O)[C@@H]3CCC(=O)N3c3ccc(Cl)cc3)n2)cc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.55
ADORA3 P0DMS8 4/20 0.53
MAPT P10636 7/20 0.51
SMN1; SMN2 Q16637 2/20 0.48
MEN1 O00255 1/20 0.48
NPC1 O15118 1/20 0.48
LMNA P02545 1/20 0.48
RAB9A P51151 1/20 0.48
KMT2A Q03164 1/20 0.48
TP53 P04637 3/20 0.48
RXFP1 Q9HBX9 2/20 0.48
HDAC6 Q9UBN7 2/20 0.44
KCNQ1 P51787 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC8 Q9BY41 1/20 0.44

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
SCHEMBL9892247 0.90 ADORA3 (0.51) CNR2ADORA3MAPTSMN1; SMN2TP53
SCHEMBL16542486 0.89 CNR2 (0.56) CNR2ADORA3SMN1; SMN2MEN1NPC1
SCHEMBL9892007 0.88 ADORA3 (0.58) CNR2ADORA3SMN1; SMN2MEN1NPC1
SCHEMBL9237546 0.84 TDP1 (0.41) CNR2ADORA3MAPTMEN1LMNA
SCHEMBL13284533 0.82 CNR2 (0.48) CNR2ADORA3MAPTSMN1; SMN2MEN1
SCHEMBL9892248 0.79 HDAC6 (0.53) CNR2ADORA3TP53HDAC6HDAC1
SCHEMBL9891940 0.75 CNR2 (0.58) CNR2MAPTSMN1; SMN2MEN1LMNA
SCHEMBL9891957 0.72 KMT2A (0.59) CNR2MEN1LMNAKMT2ARXFP1
SCHEMBL31439851 0.71 CNR2 (0.54) CNR2
SCHEMBL4241185 0.71 ADORA3 (1.00) ADORA3MAPTSMN1; SMN2MEN1NPC1

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
EP-2384320-B1 PYRROLIDINE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INT (DE) 2015-03-04 EP disclosed
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

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 1/4885ADORA3 215/4885MAPT 4057/4885

“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.