SCHEMBL16495593

SCHEMBL16495593

O=C(NC1CCCOC1)c1ccc(-c2cccc(F)c2)nc1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 5/20 0.61
▸ CNR2 P34972 1/20 0.53
▸ GRM5 P41594 2/20 0.52
▸ NAMPT P43490 2/20 0.49
▸ GABRA5 P31644 4/20 0.49
▸ MAP4K4 O95819 1/20 0.46
▸ GSK3B P49841 1/20 0.45
▸ KCNH2 Q12809 1/20 0.45
▸ WNT3A P56704 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
SCHEMBL1543648 0.89 HPGDS (0.71) HPGDSGRM5GABRA5MAP4K4
SCHEMBL16496137 0.88 HPGDS (0.67) HPGDSCNR2GRM5GABRA5MAP4K4
SCHEMBL1543445 0.87 HPGDS (0.61) HPGDSGRM5GABRA5MAP4K4WNT3A
SCHEMBL1543340 0.87 HPGDS (0.74) HPGDSGRM5GABRA5MAP4K4
SCHEMBL2991461 0.86 HPGDS (0.58) HPGDSGRM5NAMPTGABRA5MAP4K4
SCHEMBL2991465 0.86 HPGDS (0.58) HPGDSGRM5NAMPTGABRA5MAP4K4
SCHEMBL13240693 0.84 HPGDS (0.58) HPGDSGRM5GABRA5WNT3A
SCHEMBL13240692 0.84 HPGDS (0.58) HPGDSGRM5GABRA5WNT3A
SCHEMBL16495594 0.84 GABRA5 (0.53) HPGDSCNR2NAMPTGABRA5GSK3B
SCHEMBL13266065 0.84 HPGDS (0.59) 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-20110306597-A1 Nicotinamide Derivatives CRAWFORTH JAMES MICHAEL (GB) 2011-12-15 — — 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-20110306597-A1 Nicotinamide Derivatives NNT, NAMPT, NQO1 HPGDS 1073/4885CNR2 372/4885GRM5 3155/4885

“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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