SCHEMBL2986337

SCHEMBL2986337

CC(O)[C@H]1CC[C@H](NC(=O)c2ccc(-c3cccc(F)c3)nc2)CC1

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 5/20 0.63
GABRA5 P31644 4/20 0.51
MAP4K4 O95819 2/20 0.50
CYP2C9 P11712 5/20 0.49
MAPK14 Q16539 5/20 0.49
MAPK11 Q15759 1/20 0.48
GRM5 P41594 1/20 0.48
WNT3A P56704 1/20 0.46

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
SCHEMBL13240674 1.00 HPGDS (0.63) HPGDSGABRA5MAP4K4CYP2C9MAPK14
SCHEMBL2986340 1.00 HPGDS (0.63) HPGDSGABRA5MAP4K4CYP2C9MAPK14
SCHEMBL1543334 0.92 HPGDS (0.65) HPGDSGABRA5MAP4K4CYP2C9MAPK14
SCHEMBL1543023 0.92 HPGDS (0.65) HPGDSGABRA5MAP4K4CYP2C9MAPK14
SCHEMBL1543337 0.92 HPGDS (0.65) HPGDSGABRA5MAP4K4CYP2C9MAPK14
SCHEMBL1543021 0.92 HPGDS (0.65) HPGDSGABRA5MAP4K4CYP2C9MAPK14
SCHEMBL13240700 0.92 HPGDS (0.65) HPGDSGABRA5MAP4K4CYP2C9MAPK14
SCHEMBL1543340 0.90 HPGDS (0.74) HPGDSGABRA5MAP4K4CYP2C9MAPK14
SCHEMBL1543076 0.90 HPGDS (0.61) HPGDSGABRA5MAP4K4CYP2C9MAPK14
SCHEMBL1543073 0.90 HPGDS (0.61) HPGDSGABRA5MAP4K4CYP2C9MAPK14

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 1073/4885GABRA5 1938/4885MAP4K4 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.