SCHEMBL12775261

SCHEMBL12775261

CC(C)c1ncnc2c1ncn2[C@H]1CCC[C@H]1O

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ AHCY P23526 8/20 0.47
▸ ADORA3 P0DMS8 3/20 0.43
▸ ADORA1 P30542 3/20 0.43
▸ ADORA2A P29274 3/20 0.43
▸ ADORA2B P29275 1/20 0.43
▸ PI4KA P42356 3/20 0.40
▸ PI4K2B Q8TCG2 3/20 0.40
▸ PI4K2A Q9BTU6 3/20 0.40
▸ PI4KB Q9UBF8 3/20 0.40
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ THPO P40225 1/20 0.39
▸ BLM P54132 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ YTHDC1 Q96MU7 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
SCHEMBL12141869 1.00 AHCY (0.47) AHCYADORA3ADORA1ADORA2AADORA2B
SCHEMBL13693169 0.82 AHCY (0.50) AHCYADORA3ADORA1ADORA2AADORA2B
SCHEMBL12141945 0.80 ADORA2A (0.61) ADORA3ADORA1ADORA2AADORA2BPI4KA
SCHEMBL12141939 0.80 ADORA2A (0.59) ADORA3ADORA1ADORA2AADORA2BPI4KA
SCHEMBL8178692 0.79 AHCY (0.72) AHCYADORA3ADORA1ADORA2AADORA2B
SCHEMBL11882874 0.79 AHCY (0.72) AHCYADORA3ADORA1ADORA2AADORA2B
SCHEMBL11882881 0.79 AHCY (0.72) AHCYADORA3ADORA1ADORA2AADORA2B
SCHEMBL12141973 0.74 CYP2C19 (0.67) ADORA3ADORA1ADORA2AADORA2BPI4KA
SCHEMBL10516962 0.71 AHCY (0.84) AHCYADORA3ADORA1ADORA2AADORA2B
SCHEMBL10516956 0.71 AHCY (0.84) AHCYADORA3ADORA1ADORA2AADORA2B

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 AHCY 819/4885ADORA3 486/4885ADORA1 283/4885

“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.

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