SCHEMBL12844626

SCHEMBL12844626

CCCc1ccc(C(C)(C)O)cc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DAO P14920 1/20 0.39
▸ IDO1 P14902 1/20 0.37
▸ CHRM4 P08173 1/20 0.36
▸ PDE2A O00408 1/20 0.36
▸ EPHX2 P34913 2/20 0.35
▸ NR1H4 Q96RI1 2/20 0.35
▸ RIPK1 Q13546 2/20 0.34
▸ HCRTR1 O43613 1/20 0.34
▸ HCRTR2 O43614 1/20 0.34
▸ VDR P11473 2/20 0.33
▸ GRM2 Q14416 1/20 0.33
▸ FFAR1 O14842 1/20 0.33
▸ TYR P14679 1/20 0.33
▸ HMGCR P04035 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ PPARG P37231 1/20 0.32
▸ PPARD Q03181 1/20 0.32

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
SCHEMBL25587218 0.85 CYP1A2 (0.42) DAOIDO1PDE2AEPHX2NR1H4
SCHEMBL2600180 0.81 IDO1 (0.54) DAOIDO1PDE2AGRM2FFAR1
SCHEMBL12775998 0.80 IDO1 (0.38) DAOIDO1CHRM4PDE2AEPHX2
SCHEMBL4831664 0.80 IDO1 (0.41) DAOIDO1CHRM4PDE2AEPHX2
SCHEMBL23775242 0.77 CHRM4 (0.45) IDO1CHRM4EPHX2NR1H4PARP1
SCHEMBL1428445 0.76 EPHX2 (0.37) DAOIDO1CHRM4PDE2AEPHX2
SCHEMBL6967423 0.74 KCNN4 (0.43) PDE2APPARGTNKSPARP1TNKS2
SCHEMBL21534775 0.73 EPHX2 (0.41) IDO1CHRM4PDE2AEPHX2NR1H4
SCHEMBL5404668 0.73 PYCR1 (0.47) —
SCHEMBL27814767 0.73 TYR (0.55) TYRHMGCR

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 DAO 2454/4885IDO1 627/4885CHRM4 955/4885

“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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