SCHEMBL12775998

SCHEMBL12775998

CC(C)(C)Cc1ccc(C(C)(C)O)cc1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 1/20 0.38
▸ CHRM4 P08173 1/20 0.37
▸ EPHX2 P34913 3/20 0.36
▸ NR1H4 Q96RI1 2/20 0.36
▸ DAO P14920 1/20 0.34
▸ PDE2A O00408 2/20 0.33
▸ TNKS O95271 3/20 0.33
▸ PARP1 P09874 3/20 0.33
▸ TNKS2 Q9H2K2 3/20 0.33
▸ RIPK1 Q13546 2/20 0.32
▸ BRS3 P32247 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ ESR1 P03372 1/20 0.31
▸ PARP2 Q9UGN5 1/20 0.31
▸ PARP3 Q9Y6F1 1/20 0.31
▸ AKR1C3 P42330 1/20 0.31
▸ AKR1C2 P52895 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL18701033 0.85 CYP1A2 (0.43) IDO1EPHX2NR1H4DAOKCNH2
SCHEMBL2600028 0.83 IDO1 (0.54) IDO1DAOPDE2AGAA
SCHEMBL24618054 0.81 IDO1 (0.38) IDO1EPHX2NR1H4DAOPDE2A
SCHEMBL4831664 0.81 IDO1 (0.41) IDO1CHRM4EPHX2NR1H4DAO
SCHEMBL12844626 0.80 DAO (0.39) IDO1CHRM4EPHX2NR1H4DAO
SCHEMBL23775242 0.79 CHRM4 (0.45) IDO1CHRM4EPHX2NR1H4PARP1
SCHEMBL20820505 0.78 EPHX2 (0.42) IDO1EPHX2NR1H4PDE2AGAA
SCHEMBL1428445 0.77 EPHX2 (0.37) IDO1CHRM4EPHX2NR1H4DAO
SCHEMBL13020786 0.77 PYCR1 (0.46) —
SCHEMBL1704764 0.76 IDO1 (0.48) IDO1DAORIPK1KCNH2NR3C1

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 IDO1 627/4885CHRM4 955/4885EPHX2 2158/4885

“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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