SCHEMBL301162

SCHEMBL301162

Pc1cccc(C2CCCCCCC2)c1C1CCCCCCC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.38
HTR7 P34969 1/20 0.38
ABCB1 P08183 2/20 0.38
CEL P19835 2/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.36
PTGS2 P35354 1/20 0.35
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
KMO O15229 1/20 0.33
CYP11B2 P19099 1/20 0.32
TDO2 P48775 1/20 0.32
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32
POLB P06746 1/20 0.31
CASP3 P42574 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP6 Q9GZR1 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
SCHEMBL301130 1.00 HTR1A (0.38) HTR1AHTR7ABCB1CELPTGDR2
SCHEMBL260121 1.00 HTR1A (0.38) HTR1AHTR7ABCB1CELPTGDR2
SCHEMBL9634731 0.98 HTR1A (0.37) HTR1AHTR7ABCB1CELPTGDR2
SCHEMBL301275 0.98 HTR1A (0.39) HTR1AHTR7ABCB1CELPTGDR2
SCHEMBL301092 0.94 HTR1A (0.36) HTR1AHTR7ABCB1CELPTGDR2
SCHEMBL301197 0.90 HTR2C (0.33) HTR1AHTR7ABCB1
SCHEMBL6882441 0.86 CEL (0.38) HTR1AHTR7ABCB1CELPTGDR2
SCHEMBL239469 0.85 ABCB1 (0.43) HTR1AHTR7ABCB1CELPTGDR2
SCHEMBL8754990 0.84 PTGS2 (0.43) HTR1AHTR7CELPTGDR2PTGS2
SCHEMBL25428084 0.83 PTGDR2 (0.33) HTR1AHTR7CELPTGDR2PTGS2

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
EP-2610248-B1 METHOD FOR PRODUCING PHENYL-SUBSTITUTED HETEROCYCLIC DERIVATIVE BY MEANS OF COUPLING METHOD USING A PALLADIUM COMPOUND TEIJIN PHARMA LTD (JP) 2016-06-08 EP disclosed
US-8952174-B2 Process for producing phenyl-substituted heterocyclic derivative through coupling using transition metal catalyst TEIJIN PHARMA LIMITED (JP) 2015-02-10 US disclosed
US-8916714-B2 Method for producing phenyl-substituted heterocyclic derivative by means of coupling method using palladium compound TEIJIN PHARMA LIMITED (JP) 2014-12-23 US disclosed
EP-2610248-A1 METHOD FOR PRODUCING PHENYL-SUBSTITUTED HETEROCYCLIC DERIVATIVE BY MEANS OF COUPLING METHOD USING A PALLADIUM COMPOUND Teijin Pharma Limited (JP) 2013-07-03 EP disclosed
US-20130158272-A1 METHOD FOR PRODUCING PHENYL-SUBSTITUTED HETEROCYCLIC DERIVATIVE BY MEANS OF COUPLING METHOD USING PALLADIUM COMPOUND TEIJIN PHARMA LIMITED (JP) 2013-06-20 US disclosed
EP-2404908-A1 PROCESS FOR PRODUCING PHENYL-SUBSTITUTED HETEROCYCLIC DERIVATIVE THROUGH COUPLING USING TRANSITION METAL CATALYST Teijin Pharma Limited (JP) 2012-01-11 EP disclosed
US-20110313169-A1 PROCESS FOR PRODUCING PHENYL-SUBSTITUTED HETEROCYCLIC DERIVATIVE THROUGH COUPLING USING TRANSITION METAL CATALYST TEIJIN PHARMA LIMITED (JP) 2011-12-22 US disclosed
EP-0927577-B1 Ruthenium metathesis catalyst and method for olefin metathesis using the same TAKASAGO PERFUMERY CO LTD (JP) 2004-06-23 EP disclosed
US-6313365-B1 Ruthenium metathesis catalyst and method for producing olefin reaction product by metathesis reaction using the same TAKASAGO INTERNATIONAL CORPORATION (JP) 2001-11-06 US disclosed
US-6175047-B1 A CATALYST MIXTURE INCLUDING A RUTHENIUM COMPOUND, A DIHALOGENO COMPOUND, A TERMINAL ALKYNE; AS A CATALYST FOR A CARBON-CARBON BOND FORMATION REACTION TAKASAGO INTERNATIONAL CORPORATION (JP) 2001-01-16 US disclosed
EP-0927577-A1 Ruthenium metathesis catalyst and method for producing olefin reaction product by metathesis reaction using the same Takasago International Corporation (JP) 1999-07-07 EP 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-20110313169-A1 PROCESS FOR PRODUCING PHENYL-SUBSTITUTED HETEROCYCLIC DERIVATIVE THROUGH COUPLING USING TRANSITION METAL CATALYST XDH, PAH, HPRT1 HTR1A 2933/4885HTR7 3206/4885ABCB1 1094/4885
US-20130158272-A1 METHOD FOR PRODUCING PHENYL-SUBSTITUTED HETEROCYCLIC DERIVATIVE BY MEANS OF COUPLING METHOD USING PALLADIUM COMPOUND XDH, AOC1, PAH HTR1A 2714/4885HTR7 3002/4885ABCB1 1841/4885

“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.