SCHEMBL3260583

SCHEMBL3260583

CC(=O)NCC1CCCC(NC(=O)c2ccc(-c3cccc(F)c3)nc2)C1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 5/20 0.56
GRM5 P41594 5/20 0.48
CYP2C9 P11712 2/20 0.47
MAPK14 Q16539 2/20 0.47
MAPK11 Q15759 1/20 0.47
GABRA5 P31644 5/20 0.46
EPHX2 P34913 1/20 0.43

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
SCHEMBL3260579 1.00 HPGDS (0.56) HPGDSGRM5CYP2C9MAPK14MAPK11
SCHEMBL3260576 1.00 HPGDS (0.56) HPGDSGRM5CYP2C9MAPK14MAPK11
SCHEMBL3082865 0.89 HPGDS (0.53) HPGDSGRM5CYP2C9MAPK14MAPK11
SCHEMBL3082867 0.89 HPGDS (0.53) HPGDSGRM5CYP2C9MAPK14MAPK11
SCHEMBL3082862 0.89 HPGDS (0.53) HPGDSGRM5CYP2C9MAPK14MAPK11
SCHEMBL3095169 0.89 HPGDS (0.53) HPGDSGRM5CYP2C9MAPK14MAPK11
SCHEMBL3095171 0.89 HPGDS (0.53) HPGDSGRM5CYP2C9MAPK14MAPK11
SCHEMBL3095165 0.89 HPGDS (0.53) HPGDSGRM5CYP2C9MAPK14MAPK11
SCHEMBL3081846 0.88 HPGDS (0.61) HPGDSGRM5GABRA5EPHX2
SCHEMBL3081842 0.88 HPGDS (0.61) HPGDSGRM5GABRA5EPHX2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100173888-A1 Nicotinamide Derivatives PFIZER INC 2010-07-08 US 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 3155/4885CYP2C9 405/4885

“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.