SCHEMBL1542789

SCHEMBL1542789

CN(C)C(=O)C1CCC(NC(=O)c2ccc(-c3cccc(F)c3)nc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 5/20 0.62
GABRA5 P31644 4/20 0.52
MAP4K4 O95819 3/20 0.49
GRM5 P41594 1/20 0.48
EPHX2 P34913 1/20 0.46
CYP2C9 P11712 3/20 0.44
MAPK14 Q16539 3/20 0.44
MAPK11 Q15759 1/20 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
SCHEMBL1542787 1.00 HPGDS (0.62) HPGDSGABRA5MAP4K4GRM5EPHX2
SCHEMBL2978098 0.95 HPGDS (0.58) HPGDSGABRA5MAP4K4GRM5EPHX2
SCHEMBL1543257 0.95 HPGDS (0.58) HPGDSGABRA5MAP4K4GRM5EPHX2
SCHEMBL2986275 0.91 HPGDS (0.61) HPGDSGABRA5MAP4K4GRM5EPHX2
SCHEMBL2993994 0.90 HPGDS (0.58) HPGDSGABRA5MAP4K4GRM5EPHX2
SCHEMBL2993996 0.90 HPGDS (0.58) HPGDSGABRA5MAP4K4GRM5EPHX2
SCHEMBL13240695 0.90 HPGDS (0.64) HPGDSGABRA5MAP4K4GRM5EPHX2
SCHEMBL1543629 0.90 HPGDS (0.64) HPGDSGABRA5MAP4K4GRM5EPHX2
SCHEMBL1543627 0.90 HPGDS (0.64) HPGDSGABRA5MAP4K4GRM5EPHX2
SCHEMBL1543340 0.89 HPGDS (0.74) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2011524893-A 2011-09-08 JP claimed
EP-2307377-A1 NICOTINAMIDE DERIVATIVES Pfizer Limited (GB) 2011-04-13 EP claimed
US-20100173888-A1 Nicotinamide Derivatives PFIZER INC 2010-07-08 US claimed
WO-2009153720-A1 NICOTINAMIDE DERIVATIVES PFIZER LIMITED (GB) 2009-12-23 WO claimed
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
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.