SCHEMBL2070710

SCHEMBL2070710

O=C(NC1CCN(CC(F)(F)F)CC1)c1ccc(-c2cc(F)ccc2F)nc1

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 12/20 0.73
CYP2C9 P11712 5/20 0.49
MAPK14 Q16539 5/20 0.49
MAPK11 Q15759 3/20 0.49
BUB1 O43683 1/20 0.49
PRKACG P22612 1/20 0.49
MAPKAPK2 P49137 1/20 0.49
ACSL5 Q9ULC5 1/20 0.49
STK24 Q9Y6E0 1/20 0.49
KDM1A O60341 1/20 0.48
EGLN1 Q9GZT9 1/20 0.48
CCR3 P51677 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
SCHEMBL1366556 0.89 HPGDS (0.63) HPGDSKDM1AEGLN1CCR3
SCHEMBL2071563 0.88 HPGDS (0.76) HPGDSCYP2C9MAPK14MAPK11BUB1
SCHEMBL2072683 0.86 HPGDS (0.83) HPGDSKDM1AEGLN1
SCHEMBL14190796 0.86 HPGDS (0.53) HPGDSCYP2C9MAPK14MAPK11BUB1
SCHEMBL2070883 0.85 HPGDS (0.84) HPGDSKDM1AEGLN1CCR3
SCHEMBL12775223 0.85 HPGDS (0.52) HPGDSCYP2C9MAPK14MAPK11BUB1
SCHEMBL2070457 0.85 HPGDS (1.00) HPGDSKDM1A
SCHEMBL31580459 0.85 HPGDS (1.00) HPGDSKDM1A
SCHEMBL14191214 0.82 HPGDS (0.75) HPGDSKDM1AEGLN1
SCHEMBL1366087 0.82 HPGDS (0.61) HPGDSKDM1AEGLN1CCR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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
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
US-20080146569-A1 Nicotinamide Derivatives PFIZER INC. 2008-06-19 US 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 (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-20080146569-A1 Nicotinamide Derivatives NNT, NAMPT, NADK HPGDS 984/4885CYP2C9 490/4885MAPK14 2235/4885

“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.