SCHEMBL9892142

SCHEMBL9892142

CCc1sc(NC(=O)[C@@H]2CCCN2CC2CCOCC2)nc1-c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
CNR1 P21554 5/20 0.51
CNR2 P34972 5/20 0.51
MAPT P10636 1/20 0.49
HSD17B10 Q99714 2/20 0.48
HPGD P15428 1/20 0.48
TSHR P16473 1/20 0.48
AR P10275 1/20 0.45
RORC P51449 1/20 0.43
HSD11B1 P28845 1/20 0.43
TRPV4 Q9HBA0 1/20 0.42
ROCK2 O75116 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ADORA2A P29274 1/20 0.40
ADORA1 P30542 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
SCHEMBL13257045 0.97 ALDH1A1 (0.58) ALDH1A1CNR1CNR2MAPTHSD17B10
SCHEMBL20458159 0.95 ALDH1A1 (0.60) ALDH1A1CNR1CNR2MAPTHSD17B10
SCHEMBL2123122 0.95 ALDH1A1 (0.60) ALDH1A1CNR1CNR2MAPTHSD17B10
SCHEMBL9892051 0.86 ALDH1A1 (0.54) ALDH1A1CNR2MAPTHSD17B10HPGD
SCHEMBL13284776 0.85 ALDH1A1 (0.60) ALDH1A1CNR1CNR2MAPTHSD17B10
SCHEMBL9892792 0.81 ALDH1A1 (0.62) ALDH1A1CNR1CNR2MAPTHSD17B10
SCHEMBL16238780 0.81 ALDH1A1 (0.49) ALDH1A1CNR1CNR2MAPTHSD17B10
SCHEMBL2573951 0.81 ADORA3 (0.54) CNR1CNR2HSD17B10HSD11B1SMN1; SMN2
SCHEMBL13257764 0.79 CNR2 (0.54) ALDH1A1CNR1CNR2HSD17B10HPGD
SCHEMBL13257041 0.79 CNR2 (0.54) ALDH1A1CNR1CNR2HSD17B10HPGD

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 ALDH1A1 3279/4885CNR1 2/4885CNR2 1/4885

“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.