SCHEMBL9892335

SCHEMBL9892335

COc1ccc(/C(N)=N\Cl)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.61
PRSS2 P07478 1/20 0.61
PRSS3 P35030 1/20 0.61
PARP10 Q53GL7 2/20 0.55
CA1 P00915 2/20 0.55
CA2 P00918 2/20 0.55
PARP1 P09874 1/20 0.55
PARP2 Q9UGN5 1/20 0.55
PARP4 Q9UKK3 1/20 0.55
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
CDK5 Q00535 1/20 0.51
CDK5R1 Q15078 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
ALDH1A1 P00352 2/20 0.50
MAPT P10636 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
ATM Q13315 1/20 0.50
PTGIR P43119 1/20 0.50
GAA P10253 1/20 0.50

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
SCHEMBL103228 0.81 SMN1; SMN2 (0.63) PRSS1PRSS2PRSS3PARP10CA1
SCHEMBL103227 0.81 SMN1; SMN2 (0.63) PRSS1PRSS2PRSS3PARP10CA1
SCHEMBL14970879 0.79 PARP10 (0.55) PRSS1PRSS2PRSS3PARP10CA1
SCHEMBL5423613 0.78 NOS3 (0.68) PRSS1PRSS2PRSS3PARP10CA1
SCHEMBL3052608 0.76 LMNA (0.65) PRSS1PRSS2PRSS3PARP10CA1
SCHEMBL22044399 0.76 NOS3 (0.55) PRSS1PRSS2PRSS3PARP10CA1
SCHEMBL3052606 0.76 LMNA (0.65) PRSS1PRSS2PRSS3PARP10CA1
SCHEMBL6913760 0.76 CA1 (0.52) PRSS1PRSS2PRSS3PARP10CA1
SCHEMBL428892 0.76 PRSS1 (1.00) PRSS1PRSS2PRSS3PARP10CA1
SCHEMBL10925317 0.75 CA1 (0.67) PRSS1PRSS2PRSS3PARP10CA1

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 6 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
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 PRSS1 3190/4885PRSS2 4078/4885PRSS3 4138/4885

“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.