SCHEMBL2994629

SCHEMBL2994629

CCN(CC)C(=O)[C@H]1CCC[C@@H](NC(=O)c2ccc(-c3cccc(F)c3)nc2)C1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 4/20 0.56
GRM5 P41594 5/20 0.48
EPHX2 P34913 1/20 0.48
GABRA5 P31644 4/20 0.44
ALDH1A1 P00352 1/20 0.42
MLNR O43193 1/20 0.42
MAP4K4 O95819 1/20 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
SCHEMBL2994632 1.00 HPGDS (0.56) HPGDSGRM5EPHX2GABRA5ALDH1A1
SCHEMBL2988297 0.93 HPGDS (0.56) HPGDSGRM5EPHX2GABRA5MLNR
SCHEMBL3085180 0.90 HPGDS (0.57) HPGDSGRM5EPHX2GABRA5MAP4K4
SCHEMBL3085186 0.90 HPGDS (0.57) HPGDSGRM5EPHX2GABRA5MAP4K4
SCHEMBL3085183 0.90 HPGDS (0.57) HPGDSGRM5EPHX2GABRA5MAP4K4
SCHEMBL13265889 0.89 HPGDS (0.54) HPGDSGRM5EPHX2GABRA5MLNR
SCHEMBL2988887 0.87 HPGDS (0.58) HPGDSGRM5EPHX2GABRA5MLNR
SCHEMBL1543323 0.86 HPGDS (0.60) HPGDSGRM5GABRA5MAP4K4
SCHEMBL1543322 0.86 HPGDS (0.60) HPGDSGRM5GABRA5MAP4K4
SCHEMBL1543494 0.86 HPGDS (0.60) HPGDSGRM5GABRA5MAP4K4

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 3155/4885EPHX2 2455/4885

“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.