SCHEMBL1129056

SCHEMBL1129056

C#CCC(C)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.52
AOC3 Q16853 2/20 0.47
TRPA1 O75762 4/20 0.45
RIPK1 Q13546 1/20 0.45
GRM5 P41594 1/20 0.45
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
TSHR P16473 1/20 0.41
MAOA P21397 2/20 0.39
MAOB P27338 2/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
ADRA1A P35348 1/20 0.39
SNCA P37840 1/20 0.39
OPRK1 P41145 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
SCHEMBL8975327 0.78 HTR2A (0.46) TAAR1TSHR
SCHEMBL18244911 0.77 TAAR1 (0.52) TAAR1AOC3TRPA1RIPK1GRM5
SCHEMBL1553978 0.77 TAAR1 (0.52) TAAR1AOC3TRPA1RIPK1GRM5
SCHEMBL703312 0.77 TAAR1 (0.52) TAAR1AOC3TRPA1RIPK1GRM5
SCHEMBL2760210 0.77 TAAR1 (0.52) TAAR1AOC3TRPA1RIPK1GRM5
SCHEMBL17593126 0.76 TAAR1 (0.50) TAAR1AOC3TRPA1RIPK1GRM5
SCHEMBL3560379 0.75 RIPK1 (0.48) TAAR1AOC3TRPA1RIPK1CYP1A2
SCHEMBL5794231 0.75 TAAR1 (0.55) TAAR1AOC3CYP1A2CYP3A4CYP2D6
SCHEMBL6014574 0.74 TAAR1 (0.54) TAAR1AOC3TRPA1RIPK1GRM5
SCHEMBL18244887 0.74 GRM5 (0.50) TAAR1AOC3TRPA1RIPK1GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106414461-B Borate-based generated base alkaline agent and alkali reactive composition containing the generated base alkaline agent 富士胶片和光纯药株式会社 2018-09-11 CN disclosed
CN-106414461-A BORATE-BASED BASE GENERATOR, AND BASE-REACTIVE COMPOSITION COMPRISING SUCH BASE GENERATOR 和光纯药工业株式会社 2017-02-15 CN disclosed
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
EP-1677789-A1 ALKYNES I AstraZeneca AB (SE) 2006-07-12 EP disclosed
WO-2005044266-A1 ALKYNES I ASTRAZENECA AB (SE) 2005-05-19 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 TAAR1 597/4885AOC3 931/4885TRPA1 964/4885
US-20150368278-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, ASAH1 TAAR1 597/4885AOC3 931/4885TRPA1 964/4885

“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.