SCHEMBL9892271

SCHEMBL9892271

CCc1sc(NC(=O)[C@@H]2C[C@@H](OC(C)(C)C)CN2c2ccc(Cl)cc2)nc1-c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.48
ALDH1A1 P00352 4/20 0.46
HSD17B10 Q99714 2/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
PTGDR2 Q9Y5Y4 5/20 0.41
LMNA P02545 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
ADORA3 P0DMS8 2/20 0.40
RORC P51449 1/20 0.40
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
DHODH Q02127 1/20 0.38
ADORA1 P30542 1/20 0.37
PTPN1 P18031 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
SCHEMBL13284547 1.00 MAPT (0.48) MAPTALDH1A1HSD17B10HPGDTSHR
SCHEMBL9892049 0.86 ALDH1A1 (0.50) MAPTALDH1A1HSD17B10HPGDTSHR
SCHEMBL13284774 0.80 CCNE1 (0.51) MAPTALDH1A1HSD17B10HPGDTSHR
SCHEMBL9107659 0.74 MAPT (0.52) MAPTALDH1A1HSD17B10HPGDTSHR
SCHEMBL3803103 0.73 CNR2 (0.40) MAPTHSD17B10HPGDNPSR1CNR1
SCHEMBL9892864 0.72 MAPT (0.54) MAPTALDH1A1HSD17B10HPGDTSHR
SCHEMBL9892318 0.70 CNR2 (0.66) CNR1CNR2
SCHEMBL3710631 0.70 L3MBTL1 (0.54) MAPTALDH1A1HSD17B10HPGDTSHR
SCHEMBL13257813 0.70 L3MBTL1 (0.54) MAPTALDH1A1HSD17B10HPGDTSHR
SCHEMBL9892270 0.70 CNR2 (0.76) CNR1CNR2

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 MAPT 4057/4885ALDH1A1 3279/4885HSD17B10 3541/4885

“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.