SCHEMBL1543213

SCHEMBL1543213

CN(C)CC(=O)N[C@H]1CC[C@H](NC(=O)c2ccc(-c3cccc(F)c3)nc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 5/20 0.64
GABRA5 P31644 4/20 0.51
MAP4K4 O95819 2/20 0.48
EPHX2 P34913 1/20 0.47
GRM5 P41594 1/20 0.47
CYP2C9 P11712 3/20 0.46
MAPK11 Q15759 3/20 0.46
MAPK14 Q16539 3/20 0.46
GRIN2B Q13224 1/20 0.46
BUB1 O43683 1/20 0.45
PRKACG P22612 1/20 0.45
MAPKAPK2 P49137 1/20 0.45
ACSL5 Q9ULC5 1/20 0.45
STK24 Q9Y6E0 1/20 0.45

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
SCHEMBL2985709 1.00 HPGDS (0.64) HPGDSGABRA5MAP4K4EPHX2GRM5
SCHEMBL1543216 1.00 HPGDS (0.64) HPGDSGABRA5MAP4K4EPHX2GRM5
SCHEMBL1543340 0.89 HPGDS (0.74) HPGDSGABRA5MAP4K4GRM5CYP2C9
SCHEMBL1542940 0.88 HPGDS (0.61) HPGDSGABRA5MAP4K4EPHX2GRM5
SCHEMBL1543024 0.88 HPGDS (0.61) HPGDSGABRA5MAP4K4EPHX2GRM5
SCHEMBL1542937 0.88 HPGDS (0.61) HPGDSGABRA5MAP4K4EPHX2GRM5
SCHEMBL1543174 0.88 HPGDS (0.68) HPGDSGABRA5MAP4K4GRM5CYP2C9
SCHEMBL1543172 0.88 HPGDS (0.68) HPGDSGABRA5MAP4K4GRM5CYP2C9
SCHEMBL2989877 0.88 HPGDS (0.68) HPGDSGABRA5MAP4K4GRM5CYP2C9
SCHEMBL1543552 0.87 HPGDS (0.67) HPGDSGABRA5MAP4K4GRM5CYP2C9

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 6 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
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.