SCHEMBL1542889

SCHEMBL1542889

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

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 5/20 0.66
MAP4K4 O95819 3/20 0.52
GRM5 P41594 1/20 0.51
GABRA5 P31644 2/20 0.51
DGAT1 O75907 2/20 0.48
USP30 Q70CQ3 1/20 0.48
VCP P55072 1/20 0.48
ADORA3 P0DMS8 1/20 0.47
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL2982010 1.00 HPGDS (0.66) HPGDSMAP4K4GRM5GABRA5DGAT1
SCHEMBL2982015 1.00 HPGDS (0.66) HPGDSMAP4K4GRM5GABRA5DGAT1
SCHEMBL1542953 0.95 HPGDS (0.62) HPGDSMAP4K4GRM5GABRA5DGAT1
SCHEMBL1543046 0.95 HPGDS (0.62) HPGDSMAP4K4GRM5GABRA5DGAT1
SCHEMBL1542966 0.95 HPGDS (0.62) HPGDSMAP4K4GRM5GABRA5DGAT1
SCHEMBL1543340 0.93 HPGDS (0.74) HPGDSMAP4K4GRM5GABRA5USP30
SCHEMBL1543455 0.91 HPGDS (0.68) HPGDSMAP4K4GRM5GABRA5USP30
SCHEMBL1543465 0.90 HPGDS (0.70) HPGDSMAP4K4GRM5GABRA5USP30
SCHEMBL1543463 0.90 HPGDS (0.70) HPGDSMAP4K4GRM5GABRA5USP30
SCHEMBL2988675 0.89 HPGDS (0.64) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2307377-A1 NICOTINAMIDE DERIVATIVES Pfizer Limited (GB) 2011-04-13 EP 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
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
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 2268/4885GRM5 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.