SCHEMBL1542844

SCHEMBL1542844

O=C(NC1CN(C(=O)O)CC1O)c1ccc(-c2cccc(F)c2)nc1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 4/20 0.55
USP30 Q70CQ3 1/20 0.43
GRM5 P41594 1/20 0.41
WNT3A P56704 3/20 0.41
MLNR O43193 4/20 0.41
BAZ2B Q9UIF8 1/20 0.40
MAP4K4 O95819 5/20 0.40
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39

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
SCHEMBL1365962 0.89 HPGDS (0.41) HPGDSGRM5MAP4K4DRD2DRD4
SCHEMBL12776522 0.89 HPGDS (0.54) HPGDSWNT3AMLNRMAP4K4
SCHEMBL12844647 0.89 HPGDS (0.54) HPGDSWNT3AMLNRMAP4K4
SCHEMBL2070081 0.89 HPGDS (0.54) HPGDSWNT3AMLNRMAP4K4
SCHEMBL2070088 0.89 HPGDS (0.54) HPGDSWNT3AMLNRMAP4K4
SCHEMBL2070084 0.89 HPGDS (0.54) HPGDSWNT3AMLNRMAP4K4
SCHEMBL14190154 0.88 HPGDS (0.56) HPGDSUSP30GRM5WNT3AMLNR
SCHEMBL12775227 0.87 HPGDS (0.55) HPGDSUSP30GRM5WNT3AMLNR
SCHEMBL2072062 0.86 USP30 (0.52) HPGDSUSP30WNT3AMLNR
SCHEMBL2073036 0.86 USP30 (0.52) HPGDSUSP30WNT3AMLNR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110306597-A1 Nicotinamide Derivatives CRAWFORTH JAMES MICHAEL (GB) 2011-12-15 US disclosed
EP-2307378-A1 NICOTINAMIDE DERIVATIVES Pfizer Limited (GB) 2011-04-13 EP disclosed
US-7902373-B2 asthma; for treating prostaglandin D2 mediated diseases; e.g. 6-(3-fluorophenyl)-N-[1-(1-methyl-1H-tetrazol-5-yl)piperidin-4-yl]nicotinamide PFIZER INC (US) 2011-03-08 US disclosed
WO-2009153721-A1 NICOTINAMIDE DERIVATIVES PFIZER LIMITED (GB) 2009-12-23 WO disclosed
EP-2129660-A2 NICOTINAMIDE DERIVATIVES AS INHIBITORS OF H-PGDS AND THEIR USE FOR TREATING PROSTAGLANDIN D2 MEDIATED DISEASES Pfizer Products Inc. (US) 2009-12-09 EP disclosed
WO-2008075172-A2 NICOTINAMIDE DERIVATIVES AS INHIBITORS OF H-PGDS AND THEIR USE FOR TREATING PROSTAGLANDIN D2 MEDIATED DISEASES PFIZER PRODUCTS INC. (US) 2008-06-26 WO disclosed
US-20080146569-A1 Nicotinamide Derivatives PFIZER INC. 2008-06-19 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 (2 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-20080146569-A1 Nicotinamide Derivatives NNT, NAMPT, NADK HPGDS 984/4885USP30 4416/4885GRM5 3073/4885
US-20110306597-A1 Nicotinamide Derivatives NNT, NAMPT, NQO1 HPGDS 1073/4885USP30 4477/4885GRM5 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.