SCHEMBL712937

SCHEMBL712937

CCCCC=Cc1ccc(C#N)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CYP2A6 P11509 2/20 0.42
FBP1 P09467 1/20 0.42
GRIK1 P39086 1/20 0.40
GRIK2 Q13002 1/20 0.40
TNNC1 P63316 1/20 0.40
ALDH1A1 P00352 3/20 0.40
LMNA P02545 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
HDAC2 Q92769 1/20 0.38
MAPT P10636 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MGLL Q99685 1/20 0.38
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37

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
SCHEMBL712936 1.00 TSHR (0.44) TSHRHSD17B10CYP2A6FBP1GRIK1
SCHEMBL15688739 1.00 TSHR (0.44) TSHRHSD17B10CYP2A6FBP1GRIK1
SCHEMBL9827722 0.95 TSHR (0.46) TSHRHSD17B10CYP2A6FBP1GRIK1
SCHEMBL9827715 0.95 TSHR (0.46) TSHRHSD17B10CYP2A6FBP1GRIK1
SCHEMBL9827727 0.95 TSHR (0.46) TSHRHSD17B10CYP2A6FBP1GRIK1
SCHEMBL24352161 0.93 TSHR (0.49) TSHRHSD17B10CYP2A6FBP1GRIK1
SCHEMBL2007392 0.93 TSHR (0.49) TSHRHSD17B10CYP2A6FBP1GRIK1
SCHEMBL15688808 0.93 TSHR (0.49) TSHRHSD17B10CYP2A6FBP1GRIK1
SCHEMBL2007389 0.93 TSHR (0.49) TSHRHSD17B10CYP2A6FBP1GRIK1
SCHEMBL15688832 0.93 TSHR (0.49) TSHRHSD17B10CYP2A6FBP1GRIK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014073003-A1 SINGLE-STEP PROCESS FOR THE PREPARATION OF ARYL OLEFINS COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2014-05-15 WO disclosed
US-8124778-B2 Tricyclic inhibitors of fatty acid amide hydrolase THE SCRIPPS RESEARCH INSTITUTE (US) 2012-02-28 US disclosed
US-20100216750-A1 TRICYCLIC INHIBITORS OF FATTY ACID AMIDE HYDROLASE THE SCRIPPS RESEARCH INSTITUTE (US) 2010-08-26 US disclosed
EP-2161997-A1 TRICYCLIC INHIBITORS OF FATTY ACID AMIDE HYDROLASE Boger, Dale L. (US) 2010-03-17 EP disclosed
WO-2008150492-A1 TRICYCLIC INHIBITORS OF FATTY ACID AMIDE HYDROLASE THE SCRIPPS RESEARCH INSTITUTE (US) 2008-12-11 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 (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-20100216750-A1 TRICYCLIC INHIBITORS OF FATTY ACID AMIDE HYDROLASE FADS1, FAAH, SCD TSHR 1887/4885HSD17B10 25/4885CYP2A6 583/4885

“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.