SCHEMBL16495688

SCHEMBL16495688

CN(C)CC(C)(C)CNC(=O)c1ccc(-c2cccc(F)c2)nc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 5/20 0.53
HTR2C P28335 2/20 0.47
MCHR1 Q99705 2/20 0.47
GABRA5 P31644 2/20 0.46
BAZ2B Q9UIF8 1/20 0.42
MLNR O43193 3/20 0.42
WNT3A P56704 3/20 0.41
BUB1 O43683 1/20 0.41
CYP2C9 P11712 1/20 0.41
PRKACG P22612 1/20 0.41
MAPKAPK2 P49137 1/20 0.41
MAPK11 Q15759 1/20 0.41
MAPK14 Q16539 1/20 0.41
ACSL5 Q9ULC5 1/20 0.41
STK24 Q9Y6E0 1/20 0.41
CDC7 O00311 1/20 0.40
CDK19 Q9BWU1 1/20 0.40
EGLN1 Q9GZT9 1/20 0.40

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
SCHEMBL16495892 0.88 HPGDS (0.45) HPGDSHTR2CMCHR1GABRA5BAZ2B
SCHEMBL16495367 0.88 HPGDS (0.56) HPGDSHTR2CMCHR1GABRA5BAZ2B
SCHEMBL16495474 0.87 MCHR1 (0.52) HPGDSHTR2CMCHR1GABRA5BAZ2B
SCHEMBL16495554 0.87 HPGDS (0.58) HPGDSHTR2CMCHR1GABRA5BAZ2B
SCHEMBL16495808 0.86 HPGDS (0.51) HPGDSPRKACGEGLN1
SCHEMBL16495480 0.83 HPGDS (0.55) HPGDSHTR2CMCHR1GABRA5BAZ2B
SCHEMBL16496086 0.83 HPGDS (0.57) HPGDSHTR2CMCHR1CDC7CDK19
SCHEMBL16495766 0.81 HPGDS (0.57) HPGDSHTR2CMCHR1GABRA5BAZ2B
SCHEMBL16495991 0.81 HPGDS (0.57) HPGDSHTR2CMCHR1GABRA5BAZ2B
SCHEMBL16496233 0.79 HPGDS (0.58) HPGDSGABRA5BAZ2BWNT3AEGLN1

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 1073/4885HTR2C 3209/4885MCHR1 3398/4885

“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.