SCHEMBL3070890

SCHEMBL3070890

O=CC1CCCC(NC(=O)c2ccc(-c3cccc(F)c3)nc2)C1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 4/20 0.58
▸ GRM5 P41594 6/20 0.53
▸ MAP4K4 O95819 3/20 0.44
▸ GABRA5 P31644 2/20 0.43
▸ USP30 Q70CQ3 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
SCHEMBL3070887 1.00 HPGDS (0.58) HPGDSGRM5MAP4K4GABRA5USP30
SCHEMBL3070886 1.00 HPGDS (0.58) HPGDSGRM5MAP4K4GABRA5USP30
SCHEMBL13572485 0.94 HPGDS (0.60) HPGDSGRM5MAP4K4GABRA5USP30
SCHEMBL2986219 0.88 HPGDS (0.65) HPGDSGRM5MAP4K4GABRA5USP30
SCHEMBL13240673 0.88 HPGDS (0.65) HPGDSGRM5MAP4K4GABRA5USP30
SCHEMBL1543648 0.86 HPGDS (0.71) HPGDSGRM5MAP4K4GABRA5
SCHEMBL2994622 0.86 HPGDS (0.60) HPGDSGRM5MAP4K4GABRA5USP30
SCHEMBL1543323 0.86 HPGDS (0.60) HPGDSGRM5MAP4K4GABRA5USP30
SCHEMBL2981889 0.86 HPGDS (0.60) HPGDSGRM5MAP4K4GABRA5USP30
SCHEMBL1543322 0.86 HPGDS (0.60) HPGDSGRM5MAP4K4GABRA5USP30

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.

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