SCHEMBL2995008

SCHEMBL2995008

N[C@@H](Cc1ccccc1)C(=O)Nc1ccc2[nH]cnc2c1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.53
CIT O14578 1/20 0.52
ROCK2 O75116 5/20 0.52
ROCK1 Q13464 2/20 0.52
LTA4H P09960 1/20 0.49
QPCT Q16769 3/20 0.48
AKT1 P31749 1/20 0.47
BACE1 P56817 2/20 0.47
AAK1 Q2M2I8 1/20 0.46
GPR142 Q7Z601 2/20 0.46
CDK2 P24941 2/20 0.44
CDK7 P50613 2/20 0.44

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
SCHEMBL2995010 1.00 NAMPT (0.53) NAMPTCITROCK2ROCK1LTA4H
SCHEMBL4008313 0.85 ROCK2 (0.67) NAMPTCITROCK2ROCK1LTA4H
SCHEMBL4008855 0.85 ROCK2 (0.67) NAMPTCITROCK2ROCK1LTA4H
SCHEMBL4008308 0.85 ROCK2 (0.67) NAMPTCITROCK2ROCK1LTA4H
SCHEMBL26190497 0.80 ROCK2 (0.53) NAMPTROCK2ROCK1QPCT
SCHEMBL13373422 0.79 NAMPT (0.81) NAMPTROCK2QPCT
SCHEMBL3009022 0.78 HDAC8 (0.54) AKT1
SCHEMBL23466528 0.77 KDM4E (0.57) CITROCK2ROCK1AKT1BACE1
SCHEMBL9960184 0.77 NAMPT (0.62) NAMPTROCK2QPCT
SCHEMBL23466525 0.77 KDM4E (0.57) CITROCK2ROCK1AKT1BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2152664-B1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-09-03 EP disclosed
US-8367709-B2 Dipeptide analogs as coagulation factor inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-02-05 US disclosed
US-20100173899-A1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-07-08 US disclosed
EP-2152664-A1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS Brystol-Myers Squibb Company (US) 2010-02-17 EP disclosed
WO-2008157162-A1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-24 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-20100173899-A1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS F11, TFPI, SERPINC1 NAMPT 2318/4885CIT 2544/4885ROCK2 3532/4885

“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.