SCHEMBL13240657

SCHEMBL13240657

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

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 4/20 0.56
GRM5 P41594 6/20 0.47
GABRA5 P31644 4/20 0.44
EPHX2 P34913 1/20 0.42
MAP4K4 O95819 1/20 0.41
CYP2C9 P11712 1/20 0.40
MAPK11 Q15759 1/20 0.40
MAPK14 Q16539 1/20 0.40

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
SCHEMBL2988296 0.92 HPGDS (0.56) HPGDSGRM5GABRA5EPHX2MAP4K4
SCHEMBL3088890 0.90 HPGDS (0.55) HPGDSGRM5GABRA5EPHX2
SCHEMBL3088883 0.90 HPGDS (0.55) HPGDSGRM5GABRA5EPHX2
SCHEMBL3088887 0.90 HPGDS (0.55) HPGDSGRM5GABRA5EPHX2
SCHEMBL3083472 0.90 HPGDS (0.56) HPGDSGRM5GABRA5MAP4K4MAPK14
SCHEMBL3083476 0.90 HPGDS (0.56) HPGDSGRM5GABRA5MAP4K4MAPK14
SCHEMBL3083469 0.90 HPGDS (0.56) HPGDSGRM5GABRA5MAP4K4MAPK14
SCHEMBL2988466 0.88 HPGDS (0.54) HPGDSGRM5
SCHEMBL13240666 0.88 HPGDS (0.56) HPGDSGRM5GABRA5EPHX2CYP2C9
SCHEMBL2985991 0.88 HPGDS (0.56) HPGDSGRM5GABRA5EPHX2CYP2C9

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 1073/4885GRM5 3155/4885GABRA5 1938/4885

“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.