SCHEMBL2994880

SCHEMBL2994880

O=C(N[C@H]1CC[C@H](C(=O)NC2CCCC2)CC1)c1ccc(-c2cccc(F)c2)nc1

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 5/20 0.63
GRM5 P41594 3/20 0.53
MAP4K4 O95819 2/20 0.50
EPHX2 P34913 2/20 0.49
GABRA5 P31644 2/20 0.49
NPC1 O15118 1/20 0.45
RAB9A P51151 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
SCHEMBL3210248 1.00 HPGDS (0.63) HPGDSGRM5MAP4K4EPHX2GABRA5
SCHEMBL2994885 1.00 HPGDS (0.63) HPGDSGRM5MAP4K4EPHX2GABRA5
SCHEMBL2988675 0.93 HPGDS (0.64) HPGDSGRM5MAP4K4GABRA5
SCHEMBL1543648 0.93 HPGDS (0.71) HPGDSGRM5MAP4K4EPHX2GABRA5
SCHEMBL2985581 0.92 HPGDS (0.61) HPGDSGRM5MAP4K4EPHX2GABRA5
SCHEMBL2985578 0.92 HPGDS (0.61) HPGDSGRM5MAP4K4EPHX2GABRA5
SCHEMBL1543105 0.91 HPGDS (0.60) HPGDSGRM5MAP4K4GABRA5
SCHEMBL1543109 0.91 HPGDS (0.60) HPGDSGRM5MAP4K4GABRA5
SCHEMBL1543340 0.90 HPGDS (0.74) HPGDSGRM5MAP4K4GABRA5
SCHEMBL2993290 0.90 HPGDS (0.56) HPGDSGRM5MAP4K4EPHX2GABRA5

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 3155/4885MAP4K4 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.