SCHEMBL9892036

SCHEMBL9892036

O=C(Nc1nc(-c2ccccc2)ns1)[C@@H]1C[C@H](O)CN1c1ncc(C(F)(F)F)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
ADORA3 P0DMS8 5/20 0.46
MPL P40238 1/20 0.44
CHRM4 P08173 2/20 0.42
USP36 Q9P275 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
SCN9A Q15858 1/20 0.42
CHRM5 P08912 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
TP53 P04637 2/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
HSD17B10 Q99714 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
SCHEMBL13257009 0.85 CNR2 (0.54) CNR2SMN1; SMN2ADORA3MPLCHRM4
SCHEMBL9892032 0.85 ADORA3 (0.48) CNR2SMN1; SMN2ADORA3USP36MAPT
SCHEMBL9892038 0.85 ADORA3 (0.48) CNR2SMN1; SMN2ADORA3USP36MAPT
SCHEMBL9892374 0.82 CNR2 (0.50) CNR2ADORA3MPLCHRM4USP36
SCHEMBL3707377 0.77 SMN1; SMN2 (0.64) CNR2SMN1; SMN2GAAMAPTCYP2C9
SCHEMBL3707374 0.77 SMN1; SMN2 (0.64) CNR2SMN1; SMN2GAAMAPTCYP2C9
SCHEMBL9103651 0.77 SMN1; SMN2 (0.64) CNR2SMN1; SMN2GAAMAPTCYP2C9
SCHEMBL9892028 0.73 CNR2 (0.74) CNR2SMN1; SMN2CYP2C9CYP2C19CNR1
SCHEMBL2575204 0.73 CNR2 (0.74) CNR2SMN1; SMN2CYP2C9CYP2C19CNR1
SCHEMBL9892041 0.72 CNR2 (0.64) CNR2SMN1; SMN2CYP2C9CYP2C19CNR1

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 CNR2 1/4885SMN1; SMN2 4659/4885ADORA3 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.