SCHEMBL2993588

SCHEMBL2993588

CCN1CCC(CNC(=O)[C@H]2CC[C@H](NC(=O)c3ccc(-c4cccc(F)c4)nc3)CC2)C1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 7/20 0.61
MAPK14 Q16539 3/20 0.46
CYP2C9 P11712 2/20 0.46
MAPK11 Q15759 1/20 0.46
GABRA5 P31644 5/20 0.45
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
MAP4K4 O95819 2/20 0.42
MLNR O43193 1/20 0.41
USP30 Q70CQ3 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
SCHEMBL2993590 1.00 HPGDS (0.61) HPGDSMAPK14CYP2C9MAPK11GABRA5
SCHEMBL2986273 0.84 HPGDS (0.61) HPGDSMAPK14CYP2C9MAPK11GABRA5
SCHEMBL16495455 0.83 HPGDS (0.54) HPGDSGABRA5MLNR
SCHEMBL2994352 0.83 HPGDS (0.65) HPGDSGABRA5MAP4K4
SCHEMBL2994357 0.83 HPGDS (0.65) HPGDSGABRA5MAP4K4
SCHEMBL2994776 0.81 HPGDS (0.63) HPGDSGABRA5MAP4K4
SCHEMBL2994773 0.81 HPGDS (0.63) HPGDSGABRA5MAP4K4
SCHEMBL2981040 0.80 HPGDS (0.66) HPGDSGABRA5DRD2DRD4USP30
SCHEMBL2981036 0.80 HPGDS (0.66) HPGDSGABRA5DRD2DRD4USP30
SCHEMBL2071480 0.80 HPGDS (0.76) HPGDSGABRA5DRD2DRD4USP30

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 1073/4885MAPK14 2795/4885CYP2C9 405/4885

“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.