SCHEMBL1543079

SCHEMBL1543079

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

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 6/20 0.56
GABRA5 P31644 4/20 0.48
MAP4K4 O95819 1/20 0.43
CYP2C9 P11712 4/20 0.43
MAPK14 Q16539 4/20 0.43
MAPK11 Q15759 3/20 0.43
MLNR O43193 1/20 0.42
WNT3A P56704 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
SCHEMBL13240654 1.00 HPGDS (0.56) HPGDSGABRA5MAP4K4CYP2C9MAPK14
SCHEMBL3088887 0.95 HPGDS (0.55) HPGDSGABRA5MLNRWNT3A
SCHEMBL3088883 0.95 HPGDS (0.55) HPGDSGABRA5MLNRWNT3A
SCHEMBL3088890 0.95 HPGDS (0.55) HPGDSGABRA5MLNRWNT3A
SCHEMBL13240652 0.89 HPGDS (0.56) HPGDSGABRA5MAP4K4CYP2C9MAPK14
SCHEMBL2986821 0.89 HPGDS (0.56) HPGDSGABRA5MAP4K4CYP2C9MAPK14
SCHEMBL1543535 0.87 HPGDS (0.59) HPGDSGABRA5MAP4K4WNT3A
SCHEMBL2988675 0.87 HPGDS (0.64) HPGDSGABRA5MAP4K4CYP2C9MAPK14
SCHEMBL1543392 0.87 HPGDS (0.58) HPGDSGABRA5MAP4K4CYP2C9MAPK14
SCHEMBL2986273 0.86 HPGDS (0.61) HPGDSGABRA5MAP4K4CYP2C9MAPK14

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-2307377-A1 NICOTINAMIDE DERIVATIVES Pfizer Limited (GB) 2011-04-13 EP disclosed
US-20100173888-A1 Nicotinamide Derivatives PFIZER INC 2010-07-08 US disclosed
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 1938/4885MAP4K4 2268/4885

“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.