SCHEMBL1543092

SCHEMBL1543092

CN(C(=O)[C@H]1CC[C@H](NC(=O)c2ccc(-c3cccc(F)c3)nc2)CC1)C1CCNCC1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 5/20 0.56
GABRA5 P31644 4/20 0.46
MAP4K4 O95819 2/20 0.45
GRM5 P41594 1/20 0.43
MLNR O43193 2/20 0.42
EPHX2 P34913 1/20 0.42
FASN P49327 2/20 0.41

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
SCHEMBL1543094 1.00 HPGDS (0.56) HPGDSGABRA5MAP4K4GRM5MLNR
SCHEMBL13240664 0.91 HPGDS (0.51) HPGDSGABRA5MAP4K4GRM5MLNR
SCHEMBL2990578 0.91 HPGDS (0.51) HPGDSGABRA5MAP4K4GRM5MLNR
SCHEMBL1542787 0.88 HPGDS (0.62) HPGDSGABRA5MAP4K4GRM5EPHX2
SCHEMBL1542789 0.88 HPGDS (0.62) HPGDSGABRA5MAP4K4GRM5EPHX2
SCHEMBL2071798 0.87 HPGDS (0.67) HPGDSGABRA5MAP4K4GRM5
SCHEMBL1543105 0.86 HPGDS (0.60) HPGDSGABRA5MAP4K4GRM5
SCHEMBL1543109 0.86 HPGDS (0.60) HPGDSGABRA5MAP4K4GRM5
Hydrochloric Acid SCHEMBL2072096 0.86 HPGDS (0.66) HPGDSGABRA5MAP4K4GRM5
SCHEMBL2986275 0.85 HPGDS (0.61) HPGDSGABRA5MAP4K4GRM5EPHX2

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.