SCHEMBL9105214

SCHEMBL9105214

CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)Nc1nc(-c2ccccc2)ns1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 7/20 0.55
POLB P06746 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C19 P33261 1/20 0.53
TP53 P04637 2/20 0.52
ALOX15 P16050 1/20 0.52
MAPK1 P28482 1/20 0.52
CASP1 P29466 1/20 0.52
CASP7 P55210 1/20 0.52
HSD17B10 Q99714 1/20 0.52
SMN1; SMN2 Q16637 5/20 0.51
NPC1 O15118 4/20 0.51
RAB9A P51151 4/20 0.51
LMNA P02545 3/20 0.51
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.48
CNR2 P34972 1/20 0.48

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
SCHEMBL9101715 1.00 ADORA3 (0.55) ADORA3POLBCYP1A2CYP3A4CYP2C19
SCHEMBL9892916 0.85 TP53 (0.60) ADORA3POLBTP53ALOX15MAPK1
SCHEMBL16238654 0.83 CNR2 (0.64) ADORA3POLBTP53ALOX15MAPK1
SCHEMBL13257820 0.83 CNR2 (0.64) ADORA3POLBTP53ALOX15MAPK1
SCHEMBL3138965 0.82 POLB (0.55) POLBCYP1A2CYP3A4CYP2C19TP53
SCHEMBL9107659 0.80 MAPT (0.52) POLBCYP1A2CYP3A4CYP2C19HSD17B10
SCHEMBL9892037 0.77 ADORA3 (0.55) ADORA3POLBTP53ALOX15MAPK1
SCHEMBL9892030 0.77 ADORA3 (0.55) ADORA3POLBTP53ALOX15MAPK1
SCHEMBL13325458 0.75 POLB (0.61) POLBCYP1A2CYP3A4CYP2C19NPC1
SCHEMBL7728992 0.75 POLB (0.56) POLBCYP1A2CYP3A4CYP2C19TP53

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 7 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-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
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 ADORA3 215/4885POLB 2879/4885CYP1A2 1529/4885

“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.