SCHEMBL2986213

SCHEMBL2986213

NC1CN(C(=O)[C@H]2CC[C@H](NC(=O)c3ccc(-c4cccc(F)c4)nc3)CC2)C1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 5/20 0.61
MAP4K4 O95819 5/20 0.56
GABRA5 P31644 2/20 0.46
GRM5 P41594 3/20 0.46
USP30 Q70CQ3 1/20 0.46
PAX8 Q06710 1/20 0.43

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
SCHEMBL2986216 1.00 HPGDS (0.61) HPGDSMAP4K4GABRA5GRM5USP30
SCHEMBL2992607 0.94 HPGDS (0.61) HPGDSMAP4K4GABRA5GRM5USP30
SCHEMBL2992610 0.94 HPGDS (0.61) HPGDSMAP4K4GABRA5GRM5USP30
SCHEMBL2990160 0.94 HPGDS (0.61) HPGDSMAP4K4GABRA5GRM5USP30
SCHEMBL2990163 0.94 HPGDS (0.61) HPGDSMAP4K4GABRA5GRM5USP30
SCHEMBL1543723 0.93 HPGDS (0.60) HPGDSMAP4K4GABRA5GRM5USP30
SCHEMBL1543725 0.93 HPGDS (0.60) HPGDSMAP4K4GABRA5GRM5USP30
SCHEMBL1543722 0.93 HPGDS (0.60) HPGDSMAP4K4GABRA5GRM5USP30
SCHEMBL2990851 0.89 HPGDS (0.58) HPGDSMAP4K4GABRA5GRM5USP30
SCHEMBL13572490 0.89 HPGDS (0.60) HPGDSMAP4K4GABRA5GRM5USP30

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 2268/4885GABRA5 1938/4885

“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.