SCHEMBL2391652

SCHEMBL2391652

Cc1cc(-c2cnc3ccccc3c2)ccc1C(=O)N1CCC(c2cccnc2)C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 4/20 0.53
HCRTR1 O43613 2/20 0.47
HCRTR2 O43614 2/20 0.47
SPR P35270 1/20 0.47
HSD11B1 P28845 4/20 0.44
FASN P49327 1/20 0.44
LMNA P02545 1/20 0.42
CYP2A6 P11509 1/20 0.42
CYP2C9 P11712 1/20 0.41
HTR2B P41595 1/20 0.41
CACNA1B Q00975 1/20 0.41
APBA1 Q02410 1/20 0.41
HPGD P15428 1/20 0.41
CCNK O75909 1/20 0.41
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41
CDK7 P50613 1/20 0.41
CCNH P51946 1/20 0.41
MNAT1 P51948 1/20 0.41
CDK12 Q9NYV4 1/20 0.41

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
SCHEMBL15732482 0.93 NAMPT (0.56) NAMPTHCRTR1HCRTR2SPRHSD11B1
SCHEMBL2388706 0.88 NAMPT (0.61) NAMPTSPRHSD11B1FASNCYP2A6
SCHEMBL2389086 0.87 NAMPT (0.55) NAMPTSPRHSD11B1CYP2C9HTR2B
SCHEMBL2388280 0.85 NAMPT (0.57) NAMPTSPRHSD11B1FASNCYP2A6
SCHEMBL2391643 0.82 NAMPT (0.51) NAMPTHCRTR1HCRTR2SPRHSD11B1
SCHEMBL2388786 0.82 NAMPT (0.65) NAMPTSPRHSD11B1FASNLMNA
SCHEMBL2515767 0.81 NAMPT (0.49) NAMPTSPRHSD11B1
SCHEMBL2388338 0.80 NAMPT (0.52) NAMPTSPRHSD11B1FASNLMNA
SCHEMBL2393145 0.78 NAMPT (0.63) NAMPTSPRHSD11B1LMNAHTR2B
SCHEMBL12255562 0.76 NAMPT (0.60) NAMPTSPRHSD11B1LMNAHTR2B

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2375904-B1 BIARYL CARBOXAMIDES MERCK SHARP & DOHME (US) 2014-05-28 EP claimed
US-8367679-B2 Biaryl carboxamides MERCK SHARP & DOHME CORP. (US) 2013-02-05 US claimed
EP-2375904-A1 BIARYL CARBOXAMIDES Merck Sharp & Dohme Corp. (US) 2011-10-19 EP claimed
US-20110230498-A1 BIARYL CARBOXAMIDES MERCK SHARP & DOHME CORP. 2011-09-22 US claimed
WO-2010077624-A1 BIARYL CARBOXAMIDES MERCK SHARP & DOHME CORP. (US) 2010-07-08 WO claimed
EP-2375904-B1 BIARYL CARBOXAMIDES MERCK SHARP & DOHME (US) 2014-05-28 EP disclosed
US-8367679-B2 Biaryl carboxamides MERCK SHARP & DOHME CORP. (US) 2013-02-05 US disclosed
EP-2375904-A1 BIARYL CARBOXAMIDES Merck Sharp & Dohme Corp. (US) 2011-10-19 EP disclosed
US-20110230498-A1 BIARYL CARBOXAMIDES MERCK SHARP & DOHME CORP. 2011-09-22 US disclosed
WO-2010077624-A1 BIARYL CARBOXAMIDES MERCK SHARP & DOHME CORP. (US) 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-20110230498-A1 BIARYL CARBOXAMIDES PAFAH1B3, PAFAH1B2, FAAH2 NAMPT 2170/4885HCRTR1 214/4885HCRTR2 249/4885

“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.