SCHEMBL2987642

SCHEMBL2987642

O=C(NC1CCCC(C(=O)N2CCN(C3CC3)CC2)C1)c1ccc(-c2cccc(F)c2)nc1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 4/20 0.57
ACACB O00763 3/20 0.49
ACACA Q13085 3/20 0.49
GRM5 P41594 6/20 0.47
HRH3 Q9Y5N1 2/20 0.45
KCNH2 Q12809 1/20 0.44
MAP4K4 O95819 1/20 0.43
USP30 Q70CQ3 1/20 0.42

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
SCHEMBL2987640 1.00 HPGDS (0.57) HPGDSACACBACACAGRM5HRH3
SCHEMBL2994363 0.92 HPGDS (0.61) HPGDSGRM5MAP4K4USP30
SCHEMBL2994365 0.92 HPGDS (0.61) HPGDSGRM5MAP4K4USP30
SCHEMBL3070553 0.92 HPGDS (0.61) HPGDSGRM5MAP4K4USP30
SCHEMBL3070554 0.92 HPGDS (0.61) HPGDSGRM5MAP4K4USP30
SCHEMBL13240671 0.90 HPGDS (0.58) HPGDSACACBACACAGRM5MAP4K4
SCHEMBL13240670 0.90 HPGDS (0.58) HPGDSACACBACACAGRM5MAP4K4
SCHEMBL1543135 0.90 HPGDS (0.60) HPGDSACACBACACAGRM5MAP4K4
SCHEMBL1543185 0.90 HPGDS (0.60) HPGDSACACBACACAGRM5MAP4K4
SCHEMBL1543236 0.90 HPGDS (0.60) HPGDSACACBACACAGRM5MAP4K4

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 1073/4885ACACB 875/4885ACACA 929/4885

“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.