SCHEMBL9892269

SCHEMBL9892269

CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)Nc1nnc(C(C)(C)C)s1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.54
POLB P06746 2/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C19 P33261 1/20 0.54
CNR2 P34972 2/20 0.45
TSHR P16473 1/20 0.44
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPT P10636 3/20 0.41
MAPK1 P28482 1/20 0.41
PIK3CD O00329 2/20 0.39
PIK3CA P42336 2/20 0.39
PIK3CG P48736 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
RAB9A P51151 4/20 0.38
NPC1 O15118 3/20 0.38
ALDH1A1 P00352 1/20 0.38
ABL1 P00519 1/20 0.37

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
SCHEMBL9107799 0.87 CNR2 (0.44) CYP1A2POLBCYP3A4CYP2C19CNR2
SCHEMBL9892920 0.83 CNR2 (0.53) CYP1A2CNR2TSHRMEN1KMT2A
SCHEMBL9108198 0.81 CNR2 (0.59) CYP1A2CNR2TSHRMEN1KMT2A
SCHEMBL9108193 0.81 CNR2 (0.59) CYP1A2CNR2TSHRMEN1KMT2A
SCHEMBL3786164 0.80 CNR2 (0.55) CYP1A2CNR2TSHRMEN1KMT2A
SCHEMBL3786160 0.80 CNR2 (0.55) CYP1A2CNR2TSHRMEN1KMT2A
SCHEMBL11997389 0.79 POLB (0.59) CYP1A2POLBCYP3A4CYP2C19MEN1
SCHEMBL3008258 0.78 POLB (0.55) CYP1A2POLBCYP3A4CYP2C19MEN1
SCHEMBL3008255 0.78 POLB (0.55) CYP1A2POLBCYP3A4CYP2C19MEN1
Hydrochloric Acid SCHEMBL3008284 0.78 POLB (0.54) CYP1A2POLBCYP3A4CYP2C19MEN1

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 CYP1A2 1529/4885POLB 2879/4885CYP3A4 1707/4885

“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.