SCHEMBL16496263

SCHEMBL16496263

CC(C)(C)[C@@H](CO)NC(=O)c1ccc(-c2cccc(F)c2)nc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 2/20 0.55
GRM5 P41594 2/20 0.49
DGAT1 O75907 1/20 0.46
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
GABRA5 P31644 2/20 0.44
ROCK2 O75116 1/20 0.44
PRKACA P17612 1/20 0.44
PRKACG P22612 1/20 0.44
PRKACB P22694 1/20 0.44
AKT1 P31749 1/20 0.44
PRKG1 Q13976 1/20 0.44
BAZ2B Q9UIF8 1/20 0.43
MLNR O43193 1/20 0.43
WNT3A P56704 2/20 0.42
DGAT2 Q96PD7 1/20 0.42
HDAC4 P56524 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
SCHEMBL16495932 0.83 HPGDS (0.64) HPGDSGRM5DGAT1GABRA5ROCK2
SCHEMBL16495384 0.81 HPGDS (0.58) HPGDSGRM5DGAT1CNR2GABRA5
SCHEMBL16495759 0.81 HPGDS (0.53) HPGDSGRM5DGAT1CNR2GABRA5
SCHEMBL16495506 0.80 HPGDS (0.55) HPGDSROCK2PRKACAAKT1PRKG1
SCHEMBL16495644 0.79 HPGDS (0.51) HPGDSGRM5DGAT1CNR1CNR2
SCHEMBL6929730 0.79 GRM5 (0.78) GRM5GABRA5
SCHEMBL16495367 0.79 HPGDS (0.56) HPGDSGABRA5PRKACGBAZ2BWNT3A
SCHEMBL16495713 0.79 HPGDS (0.56) HPGDSDGAT1GABRA5ROCK2PRKACA
SCHEMBL16495568 0.78 HPGDS (0.60) HPGDSGRM5DGAT1GABRA5ROCK2
SCHEMBL16495991 0.78 HPGDS (0.57) HPGDSGRM5GABRA5BAZ2BWNT3A

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 1073/4885GRM5 3155/4885DGAT1 2154/4885

“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.