SCHEMBL9892009

SCHEMBL9892009

O=C(Nc1nc(-c2ccccc2)ns1)[C@@H]1CCC(=O)N1c1ccc(C(F)(F)F)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 4/20 0.47
USP36 Q9P275 1/20 0.47
ADORA3 P0DMS8 6/20 0.46
TP53 P04637 2/20 0.44
ALOX15 P16050 1/20 0.44
MAPK1 P28482 1/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
HSD17B10 Q99714 1/20 0.44
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
CNR2 P34972 3/20 0.42
CYP2C8 P10632 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
HTT P42858 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL9892374 0.87 CNR2 (0.50) HDAC6USP36ADORA3TP53ALOX15
SCHEMBL9892007 0.82 ADORA3 (0.58) HDAC6ADORA3TP53ALOX15MAPK1
SCHEMBL9892248 0.79 HDAC6 (0.53) HDAC6ADORA3TP53ALOX15MAPK1
SCHEMBL9892247 0.76 ADORA3 (0.51) HDAC6ADORA3TP53HDAC1HDAC8
SCHEMBL16542486 0.74 CNR2 (0.56) HDAC6ADORA3TP53ALOX15MAPK1
SCHEMBL13257009 0.73 CNR2 (0.54) USP36ADORA3TP53ALOX15MAPK1
SCHEMBL9892036 0.72 CNR2 (0.50) USP36ADORA3TP53ALOX15MAPK1
SCHEMBL9892191 0.71 CNR2 (0.55) HDAC6ADORA3TP53HDAC1HDAC8
SCHEMBL13284533 0.69 CNR2 (0.48) HDAC6ADORA3TP53ALOX15MAPK1
SCHEMBL9892032 0.67 ADORA3 (0.48) USP36ADORA3TP53ALOX15MAPK1

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 4 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

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 HDAC6 1750/4885USP36 2980/4885ADORA3 215/4885

“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.