SCHEMBL2994580

SCHEMBL2994580

O=C(N[C@@H]1CC[C@H](C(=O)N2CC[C@H](F)C2)C1)c1ccc(-c2cccc(F)c2)nc1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 5/20 0.60
MAP4K4 O95819 4/20 0.49
USP30 Q70CQ3 1/20 0.46
GABRA5 P31644 2/20 0.43
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
GRM5 P41594 2/20 0.42
DPP4 P27487 2/20 0.41
KCNH2 Q12809 2/20 0.41
DPP7 Q9UHL4 2/20 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
SCHEMBL2988964 1.00 HPGDS (0.60) HPGDSMAP4K4USP30GABRA5DRD2
SCHEMBL2993761 1.00 HPGDS (0.60) HPGDSMAP4K4USP30GABRA5DRD2
SCHEMBL2987194 1.00 HPGDS (0.60) HPGDSMAP4K4USP30GABRA5DRD2
SCHEMBL2990851 0.93 HPGDS (0.58) HPGDSMAP4K4USP30GABRA5DRD2
SCHEMBL2978468 0.93 HPGDS (0.60) HPGDSMAP4K4USP30GABRA5DRD2
SCHEMBL2993412 0.91 HPGDS (0.60) HPGDSMAP4K4USP30GABRA5GRM5
SCHEMBL13240656 0.91 HPGDS (0.60) HPGDSMAP4K4USP30GABRA5GRM5
SCHEMBL2990163 0.88 HPGDS (0.61) HPGDSMAP4K4USP30GABRA5DRD2
SCHEMBL2992607 0.88 HPGDS (0.61) HPGDSMAP4K4USP30GABRA5DRD2
SCHEMBL2992610 0.88 HPGDS (0.61) HPGDSMAP4K4USP30GABRA5DRD2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100173888-A1 Nicotinamide Derivatives PFIZER INC 2010-07-08 US disclosed
US-20100173888-A1 Nicotinamide Derivatives PFIZER INC 2010-07-08 US disclosed
US-20100173888-A1 Nicotinamide Derivatives PFIZER INC 2010-07-08 US disclosed
WO-2009153720-A1 NICOTINAMIDE DERIVATIVES PFIZER LIMITED (GB) 2009-12-23 WO 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 2268/4885USP30 4477/4885

“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.