SCHEMBL9892049

SCHEMBL9892049

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
MAPT P10636 2/20 0.50
HSD17B10 Q99714 2/20 0.48
HPGD P15428 1/20 0.48
TSHR P16473 1/20 0.48
CNR1 P21554 1/20 0.48
CNR2 P34972 1/20 0.48
PTGDR2 Q9Y5Y4 5/20 0.45
RORC P51449 1/20 0.44
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
ADORA3 P0DMS8 2/20 0.42
BACE1 P56817 2/20 0.41
PTPN1 P18031 1/20 0.40
CDC25B P30305 1/20 0.40

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 0.86 MAPT (0.48) ALDH1A1MAPTHSD17B10HPGDTSHR
SCHEMBL9892271 0.86 MAPT (0.48) ALDH1A1MAPTHSD17B10HPGDTSHR
SCHEMBL13284774 0.84 CCNE1 (0.51) ALDH1A1MAPTHSD17B10HPGDTSHR
SCHEMBL9892050 0.79 ALDH1A1 (0.56) ALDH1A1MAPTHSD17B10HPGDTSHR
SCHEMBL9107659 0.78 MAPT (0.52) ALDH1A1MAPTHSD17B10HPGDTSHR
SCHEMBL9892051 0.76 ALDH1A1 (0.54) ALDH1A1MAPTHSD17B10HPGDTSHR
SCHEMBL9892288 0.73 ALDH1A1 (0.57) ALDH1A1MAPTHSD17B10HPGDTSHR
SCHEMBL1915405 0.72 PLA2G1B (0.55) ALDH1A1MAPTHSD17B10HPGDTSHR
SCHEMBL1914709 0.72 ALDH1A1 (0.51) ALDH1A1MAPTHSD17B10HPGDTSHR
SCHEMBL14960379 0.71 ALDH1A1 (0.74) ALDH1A1MAPTHSD17B10HPGDTSHR

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 ALDH1A1 3279/4885MAPT 4057/4885HSD17B10 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.