SCHEMBL12255482

SCHEMBL12255482

CC(c1cccnc1)C1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 9/20 0.60
CYP3A4 P08684 1/20 0.52
CYP3A5 P20815 1/20 0.52
NPC1 O15118 1/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48
MAPK1 P28482 1/20 0.48
HTT P42858 1/20 0.48
RAB9A P51151 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CCNA2 P20248 1/20 0.47
CDK2 P24941 1/20 0.47
KEAP1 Q14145 1/20 0.46
NFE2L2 Q16236 1/20 0.46
IDO1 P14902 3/20 0.46
NAMPT P43490 1/20 0.45
GBA1 P04062 1/20 0.45

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
SCHEMBL3295647 0.88 GPR119 (0.60) GPR119CYP3A4CYP3A5NPC1ALDH1A1
SCHEMBL2282506 0.88 GPR119 (0.60) GPR119CYP3A4CYP3A5NPC1ALDH1A1
SCHEMBL25595603 0.88 GPR119 (0.60) GPR119CYP3A4CYP3A5NPC1ALDH1A1
SCHEMBL17240225 0.87 GPR119 (0.56) GPR119CYP3A4CYP3A5CCNA2CDK2
SCHEMBL25589898 0.86 NAMPT (0.50) GPR119CYP3A4CYP3A5NAMPTGBA1
SCHEMBL2280639 0.84 GPR119 (0.56) GPR119CYP3A4CYP3A5NPC1ALDH1A1
SCHEMBL25273647 0.84 GPR119 (0.55) GPR119CYP3A4CYP3A5CCNA2CDK2
SCHEMBL4777285 0.83 GPR119 (0.54) GPR119CYP3A4CYP3A5CCNA2CDK2
SCHEMBL22773259 0.82 GPR119 (0.51) GPR119CYP3A4CYP3A5NPC1ALDH1A1
SCHEMBL22491593 0.82 GPR119 (0.51) GPR119CYP3A4CYP3A5NPC1ALDH1A1

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-8470819-B2 Benzimidazole and aza-benzimidazole carboxamides MERCK SHARP & DOHME CORP. (US) 2013-06-25 US disclosed
US-8367679-B2 Biaryl carboxamides MERCK SHARP & DOHME CORP. (US) 2013-02-05 US disclosed
US-20110230498-A1 BIARYL CARBOXAMIDES MERCK SHARP & DOHME CORP. 2011-09-22 US disclosed
US-20110207750-A1 BENZIMIDAZOLE AND AZA-BENZIMIDAZOLE CARBOXAMIDES MERCK SHARP & DOHME LLC 2011-08-25 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-20110230498-A1 BIARYL CARBOXAMIDES PAFAH1B3, PAFAH1B2, FAAH2 GPR119 338/4885CYP3A4 2200/4885CYP3A5 1006/4885
US-20110207750-A1 BENZIMIDAZOLE AND AZA-BENZIMIDAZOLE CARBOXAMIDES PAFAH1B3, PAFAH1B2, PAF1 GPR119 380/4885CYP3A4 1696/4885CYP3A5 805/4885

“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.