Sugi Predict

Sugi Predict / Compounds / SCHEMBL1129072

SCHEMBL1129072

SCHEMBL1129072

CN(CCc1ccc(Br)c(F)c1)C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SSTR4 P31391 1/20 0.39
▸ PDK2 Q15119 1/20 0.38
▸ KMT2A Q03164 1/20 0.36
▸ AAK1 Q2M2I8 2/20 0.36
▸ ACHE P22303 2/20 0.35
▸ FPR3 P25089 1/20 0.35
▸ FPR2 P25090 1/20 0.35
▸ ESRRG P62508 1/20 0.34
▸ HTR2C P28335 2/20 0.34
▸ SLC6A4 P31645 2/20 0.34
▸ MCHR1 Q99705 1/20 0.33
▸ CDK8 P49336 1/20 0.33
▸ CLK4 Q9HAZ1 1/20 0.33
▸ CHRM2 P08172 1/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ CTSK P43235 1/20 0.33

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
SCHEMBL18416938 0.87 SSTR4 (0.40) SSTR4HTR2CSLC6A4HTR2A
SCHEMBL28733797 0.86 ESRRG (0.39) PDK2ACHEESRRG
SCHEMBL29677595 0.86 ESRRG (0.39) PDK2ACHEESRRG
SCHEMBL12420233 0.84 PDK2 (0.37) PDK2KMT2AACHEESRRGHTR2C
SCHEMBL5347625 0.81 CDK8 (0.45) KMT2ACDK8CLK4
SCHEMBL1129151 0.81 TAAR1 (0.50) PDK2KMT2AAAK1FPR3FPR2
SCHEMBL14326997 0.81 TAAR1 (0.50) PDK2ESRRGMCHR1CHRM1CTSK
SCHEMBL16659614 0.80 PDK2 (0.36) PDK2ACHEESRRGHTR2CSLC6A4
SCHEMBL21163677 0.80 PDK2 (0.55) SSTR4PDK2KMT2A
SCHEMBL4388596 0.80 HTR2C (0.41) SSTR4PDK2FPR3FPR2HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150368278-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC. (US) 2015-12-24 — — US disclosed
US-8957049-B2 Inhibitors of fatty acid amide hydrolase INFINITY PHARMACEUTICALS, INC. (US) 2015-02-17 — — US disclosed
CN-102046179-B Inhibitors of fatty acid amide hydrolase INFINITY PHARMACEUTICALS INC 2015-01-14 — — CN disclosed
US-20110172186-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC. 2011-07-14 — — US disclosed
CN-102046179-A Inhibitors of fatty acid amide hydrolase INFINITY PHARMACEUTICALS INC 2011-05-04 — — CN disclosed
EP-2282742-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE Infinity Pharmaceuticals, Inc. (US) 2011-02-16 — — EP disclosed
WO-2009126691-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC (US) 2009-10-15 — — WO 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 (2 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-20110172186-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, ASAH1 SSTR4 485/4885PDK2 2412/4885KMT2A 2097/4885
US-20150368278-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, ASAH1 SSTR4 485/4885PDK2 2412/4885KMT2A 2097/4885

“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.