SCHEMBL301197

SCHEMBL301197

Pc1cccc(C2CC2)c1C1CC1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.33
PDK2 Q15119 3/20 0.33
ABCB1 P08183 2/20 0.33
PDK4 Q16654 2/20 0.33
CHRNB2 P17787 4/20 0.32
CHRNA4 P43681 4/20 0.32
NOTUM Q6P988 1/20 0.31
HTR1A P08908 1/20 0.31
HTR7 P34969 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
SCHEMBL301092 0.91 HTR1A (0.36) HTR2CABCB1CHRNB2CHRNA4HTR1A
SCHEMBL301275 0.91 HTR1A (0.39) HTR2CABCB1CHRNB2CHRNA4HTR1A
SCHEMBL260121 0.90 HTR1A (0.38) ABCB1HTR1AHTR7
SCHEMBL301130 0.90 HTR1A (0.38) ABCB1HTR1AHTR7
SCHEMBL301162 0.90 HTR1A (0.38) ABCB1HTR1AHTR7
SCHEMBL9634731 0.88 HTR1A (0.37) ABCB1HTR1AHTR7
SCHEMBL15285534 0.78 HTR2C (0.39) HTR2CPDK2PDK4HTR1A
SCHEMBL25428084 0.75 PTGDR2 (0.33) HTR1AHTR7
SCHEMBL6882441 0.74 CEL (0.38) ABCB1HTR1AHTR7
SCHEMBL8754990 0.74 PTGS2 (0.43) HTR1AHTR7

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 HTR2C 3530/4885PDK2 203/4885ABCB1 1094/4885
US-20130158272-A1 METHOD FOR PRODUCING PHENYL-SUBSTITUTED HETEROCYCLIC DERIVATIVE BY MEANS OF COUPLING METHOD USING PALLADIUM COMPOUND XDH, AOC1, PAH HTR2C 3788/4885PDK2 88/4885ABCB1 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.