SCHEMBL2994529

SCHEMBL2994529

O=C(N[C@H]1CC[C@H](C(=O)N2CCCC2)CC1)c1ccc(-c2cccc(F)c2)nc1

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 6/20 0.66
MAP4K4 O95819 3/20 0.51
GRM5 P41594 2/20 0.49
GABRA5 P31644 2/20 0.47
USP30 Q70CQ3 1/20 0.47

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
SCHEMBL2985636 1.00 HPGDS (0.66) HPGDSMAP4K4GRM5GABRA5USP30
SCHEMBL2985631 1.00 HPGDS (0.66) HPGDSMAP4K4GRM5GABRA5USP30
SCHEMBL2996580 0.93 HPGDS (0.65) HPGDSMAP4K4GRM5GABRA5USP30
SCHEMBL2996585 0.93 HPGDS (0.65) HPGDSMAP4K4GRM5GABRA5USP30
SCHEMBL2985442 0.92 HPGDS (0.63) HPGDSMAP4K4GRM5GABRA5USP30
SCHEMBL2984429 0.92 HPGDS (0.63) HPGDSMAP4K4GRM5GABRA5USP30
SCHEMBL2984433 0.92 HPGDS (0.63) HPGDSMAP4K4GRM5GABRA5USP30
SCHEMBL2984489 0.92 HPGDS (0.63) HPGDSMAP4K4GRM5GABRA5USP30
SCHEMBL2984485 0.92 HPGDS (0.63) HPGDSMAP4K4GRM5GABRA5USP30
SCHEMBL2978736 0.91 HPGDS (0.62) HPGDSMAP4K4GRM5GABRA5USP30

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 1073/4885MAP4K4 2268/4885GRM5 3155/4885

“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.