SCHEMBL10171244

SCHEMBL10171244

COc1ccc(-c2nnc(NC(=O)C(C)C)[nH]2)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
RXFP1 Q9HBX9 2/20 0.47
NPC1 O15118 1/20 0.47
HPGD P15428 1/20 0.47
ADORA3 P0DMS8 2/20 0.47
PTGES O14684 2/20 0.46
AMY1A P0DUB6 4/20 0.43
SCN10A Q9Y5Y9 1/20 0.43
ATAD2 Q6PL18 1/20 0.42
MTNR1B P49286 2/20 0.42
KMT2A Q03164 1/20 0.41
GPR35 Q9HC97 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 1/20 0.40
SLC2A1 P11166 1/20 0.39

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
SCHEMBL12172333 0.87 AMY1A (0.45) ALDH1A1RXFP1NPC1ADORA3AMY1A
SCHEMBL12154582 0.84 TYR (0.42) ALDH1A1NPC1PTGESKMT2AGPR35
SCHEMBL14647206 0.84 ADORA3 (0.47) ALDH1A1RXFP1NPC1ADORA3AMY1A
SCHEMBL12155330 0.84 AMY1A (0.43) RXFP1PTGESAMY1AGPR35MAPT
SCHEMBL10171117 0.80 ALDH1A1 (0.54) ALDH1A1RXFP1NPC1HPGDADORA3
SCHEMBL10171537 0.73 CNR2 (0.39) RXFP1NPC1AMY1AKMT2AGPR35
SCHEMBL18026697 0.73 POLB (0.63) ALDH1A1NPC1HPGDADORA3ATAD2
SCHEMBL10171539 0.73 CNR2 (0.55) RXFP1ADORA3AMY1AKMT2AGPR35
SCHEMBL10217001 0.72 CNR2 (0.38) ALDH1A1NPC1HPGDAMY1AGPR35
SCHEMBL1691138 0.72 AMY1A (0.52) ALDH1A1RXFP1NPC1AMY1A

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-8349871-B2 Therapeutic uses of compounds which selectively modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-08 US disclosed
US-20120010184-A1 Therapeutic Uses of Compounds Which Selectively Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-12 US disclosed
US-8048899-B2 Compounds which selectively modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-01 US disclosed
US-20100081644-A1 Compounds Which Selectively Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-01 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 (2 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-20100081644-A1 Compounds Which Selectively Modulate The CB2 Receptor CNR2, CNR1, OPRL1 ALDH1A1 2112/4885RXFP1 317/4885NPC1 1324/4885
US-20120010184-A1 Therapeutic Uses of Compounds Which Selectively Modulate The CB2 Receptor CNR2, CNR1, OPRL1 ALDH1A1 1813/4885RXFP1 359/4885NPC1 1254/4885

“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.