SCHEMBL12776151

SCHEMBL12776151

Cn1nc(CC(C)(C)C)nc1-c1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 8/20 0.47
AOC3 Q16853 2/20 0.44
TMEM97 Q5BJF2 3/20 0.43
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
NR1H2 P55055 1/20 0.40
NR1H3 Q13133 1/20 0.40
KDM4C Q9H3R0 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
SCHEMBL12776147 0.76 GRM2 (0.38) SIGMAR1TMEM97NPC1RAB9ANR1H2
SCHEMBL21914818 0.74 AOC3 (0.58) SIGMAR1AOC3TMEM97NPC1RAB9A
SCHEMBL9368116 0.73 NPC1 (0.67) NPC1RAB9ANR1H2NR1H3KDM4C
SCHEMBL12776143 0.72 KDM4E (0.38) SIGMAR1AOC3TMEM97NPC1RAB9A
SCHEMBL27217295 0.71 KDM4C (0.43) NPC1RAB9ANR1H2NR1H3KDM4C
SCHEMBL23447248 0.71 SIGMAR1 (0.38) SIGMAR1AOC3TMEM97KDM4C
SCHEMBL23130722 0.70 SMN1; SMN2 (0.46) NPC1RAB9ANR1H2NR1H3KDM4C
SCHEMBL12776157 0.70 NPC1 (0.46) SIGMAR1TMEM97NPC1RAB9AKDM4C
SCHEMBL12343973 0.68 NR1H3 (0.59) SIGMAR1TMEM97NPC1RAB9ANR1H2
SCHEMBL17803263 0.68 SIGMAR1 (0.65) SIGMAR1AOC3TMEM97

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-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-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 SIGMAR1 4080/4885AOC3 2447/4885TMEM97 4469/4885

“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.