SCHEMBL12896156

SCHEMBL12896156

CC(C)Oc1ccc(-c2cnoc2)nc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 2/20 0.37
▸ CYP2C19 P33261 2/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C8 P10632 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ CYP1A2 P05177 1/20 0.35
▸ MCL1 Q07820 1/20 0.34
▸ FDPS P14324 1/20 0.33
▸ NOTUM Q6P988 1/20 0.33
▸ MET P08581 1/20 0.33
▸ ACACB O00763 4/20 0.33
▸ MAP4K4 O95819 1/20 0.33
▸ CYP11B1 P15538 1/20 0.32
▸ CYP11B2 P19099 1/20 0.32
▸ ALDH1A3 P47895 1/20 0.32
▸ GABRA1 P14867 1/20 0.31
▸ GABRG2 P18507 1/20 0.31
▸ GABRB3 P28472 1/20 0.31
▸ GABRA5 P31644 1/20 0.31
▸ GABRA3 P34903 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
SCHEMBL12923844 0.82 RXFP1 (0.43) CYP11B1CYP11B2RXFP1
SCHEMBL12896215 0.78 CYP11B1 (0.43) CYP2C9CYP2C19CYP3A4CYP2C8KCNH2
SCHEMBL12896105 0.77 CYP11B1 (0.53) CYP2C9CYP2C19CYP3A4CYP2C8KCNH2
SCHEMBL12896123 0.73 MAPK8 (0.44) CYP2C9CYP2C19CYP3A4CYP2C8KCNH2
SCHEMBL18848895 0.72 CYP1A2 (0.43) CYP1A2MCL1RXFP1
SCHEMBL30636907 0.72 — —
SCHEMBL12896184 0.71 FGFR3 (0.45) CYP1A2METCYP11B1CYP11B2
SCHEMBL12896139 0.69 ALDH1A1 (0.43) CYP2C9CYP2C19CYP3A4CYP2C8KCNH2
SCHEMBL12896143 0.69 CYP1A2 (0.35) CYP2C9CYP2C19CYP3A4CYP2C8KCNH2
SCHEMBL12896119 0.69 LTA4H (0.40) CYP2C9CYP2C19CYP3A4CYP2C8KCNH2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9149465-B2 Isoxazolines as inhibitors of fatty acid amide hydrolase INFINITY PHARMACEUTICALS, INC. (US) 2015-10-06 — — US disclosed
US-8927551-B2 Isoxazolines as inhibitors of fatty acid amide hydrolase INFINITY PHARMACEUTICALS, INC. (US) 2015-01-06 — — US disclosed
US-8765735-B2 Isoxazolines as inhibitors of fatty acid amide hydrolase INFINITY PHARMACEUTICALS, INC. (US) 2014-07-01 — — US disclosed
US-20110034437-A1 ISOXAZOLINES AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC. (US) 2011-02-10 — — US disclosed
US-20110028482-A1 ISOXAZOLINES AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC. (US) 2011-02-03 — — US disclosed
US-20110028478-A1 ISOXAZOLINES AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC. (US) 2011-02-03 — — US disclosed
US-20110028482-A1 ISOXAZOLINES AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC. (US) 2011-02-03 — — US disclosed
US-20110028478-A1 ISOXAZOLINES AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC. (US) 2011-02-03 — — 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 (3 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-20110034437-A1 ISOXAZOLINES AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, HRH2 CYP2C9 206/4885CYP2C19 309/4885CYP3A4 377/4885
US-20110028478-A1 ISOXAZOLINES AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, HRH2 CYP2C9 206/4885CYP2C19 309/4885CYP3A4 377/4885
US-20110028482-A1 ISOXAZOLINES AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, HRH2 CYP2C9 206/4885CYP2C19 309/4885CYP3A4 377/4885

“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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