SCHEMBL12776147

SCHEMBL12776147

Cn1nc(CC(C)(C)C)nc1-c1ccccc1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.38
SIGMAR1 Q99720 2/20 0.38
PTGS2 P35354 1/20 0.36
TMEM97 Q5BJF2 2/20 0.36
HSD11B1 P28845 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PDE2A O00408 1/20 0.35
PDE10A Q9Y233 1/20 0.35
POLB P06746 1/20 0.35
DCTPP1 Q9H773 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
KDM4E B2RXH2 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL13201981 0.76 ADRA1A (0.43) PTGS2HSD11B1ALDH1A1ALOX15HSD17B10
SCHEMBL12776151 0.76 SIGMAR1 (0.47) SIGMAR1TMEM97NPC1RAB9ANR1H2
SCHEMBL25972417 0.75 ALDH1A1 (0.37) PTGS2ALDH1A1HSD17B10NPSR1KDM4E
SCHEMBL10941820 0.74 NPC1 (0.49) HSD11B1ALDH1A1HSD17B10NPSR1PDE2A
SCHEMBL12776157 0.73 NPC1 (0.46) SIGMAR1TMEM97ALDH1A1ALOX15NPSR1
SCHEMBL12776143 0.70 KDM4E (0.38) SIGMAR1TMEM97ALDH1A1NPC1RAB9A
SCHEMBL9829686 0.70 HSD11B1 (0.50) PTGS2HSD11B1ALDH1A1ALOX15HSD17B10
SCHEMBL10939886 0.69 HSD11B1 (0.46) HSD11B1PDE10ANPC1RAB9ANR1H2
SCHEMBL24407582 0.69 FFAR1 (0.41) ALDH1A1ALOX15HSD17B10NPSR1KDM4E
SCHEMBL9829855 0.67 HSD11B1 (0.53) HSD11B1

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 2 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-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 GRM2 4005/4885SIGMAR1 4080/4885PTGS2 692/4885

“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.