SCHEMBL13240652

SCHEMBL13240652

CN(C)CCNC(=O)[C@H]1CC[C@@H](NC(=O)c2ccc(-c3cccc(F)c3)nc2)C1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 5/20 0.56
GABRA5 P31644 4/20 0.46
EPHX2 P34913 1/20 0.44
FASN P49327 2/20 0.43
CDC7 O00311 1/20 0.43
CDK19 Q9BWU1 1/20 0.43
MAP4K4 O95819 1/20 0.43
CYP2C9 P11712 3/20 0.42
MAPK11 Q15759 3/20 0.42
MAPK14 Q16539 3/20 0.42
RAD52 P43351 1/20 0.42
BUB1 O43683 1/20 0.42
PRKACG P22612 1/20 0.42
MAPKAPK2 P49137 1/20 0.42
ACSL5 Q9ULC5 1/20 0.42
STK24 Q9Y6E0 1/20 0.42

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
SCHEMBL2986821 1.00 HPGDS (0.56) HPGDSGABRA5EPHX2FASNCDC7
SCHEMBL2988337 0.90 HPGDS (0.57) HPGDSGABRA5EPHX2MAP4K4CYP2C9
SCHEMBL2988340 0.90 HPGDS (0.57) HPGDSGABRA5EPHX2MAP4K4CYP2C9
SCHEMBL1543079 0.89 HPGDS (0.56) HPGDSGABRA5MAP4K4CYP2C9MAPK11
SCHEMBL13240654 0.89 HPGDS (0.56) HPGDSGABRA5MAP4K4CYP2C9MAPK11
SCHEMBL2988675 0.86 HPGDS (0.64) HPGDSGABRA5MAP4K4CYP2C9MAPK11
SCHEMBL1543392 0.86 HPGDS (0.58) HPGDSGABRA5MAP4K4CYP2C9MAPK11
SCHEMBL2986273 0.85 HPGDS (0.61) HPGDSGABRA5MAP4K4CYP2C9MAPK11
SCHEMBL1543257 0.85 HPGDS (0.58) HPGDSGABRA5EPHX2FASNMAP4K4
SCHEMBL2978098 0.85 HPGDS (0.58) HPGDSGABRA5EPHX2FASNMAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100173888-A1 Nicotinamide Derivatives PFIZER INC 2010-07-08 US disclosed
US-20100173888-A1 Nicotinamide Derivatives PFIZER INC 2010-07-08 US disclosed
WO-2009153720-A1 NICOTINAMIDE DERIVATIVES PFIZER LIMITED (GB) 2009-12-23 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-20100173888-A1 Nicotinamide Derivatives NNT, NAMPT, NQO1 HPGDS 1073/4885GABRA5 1938/4885EPHX2 2455/4885

“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.