SCHEMBL199686

SCHEMBL199686

[CH2]CCCc1c(CC)cccc1CC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.43
GABRB2 P47870 4/20 0.43
TAAR1 Q96RJ0 2/20 0.37
HTR1A P08908 1/20 0.37
KCNH2 Q12809 1/20 0.34
SCN5A Q14524 1/20 0.34
ELANE P08246 1/20 0.33
BID P55957 3/20 0.32
MCL1 Q07820 3/20 0.32
BCL2L1 Q07817 2/20 0.32
BAK1 Q16611 2/20 0.32
KAT8 Q9H7Z6 2/20 0.32
IAPP P10997 1/20 0.32
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
EP300 Q09472 1/20 0.32
KAT2A Q92830 1/20 0.32
KAT2B Q92831 1/20 0.32
KAT5 Q92993 1/20 0.32
SAE1 Q9UBE0 1/20 0.32

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
SCHEMBL9046269 0.92 GABRA1 (0.38) GABRA1GABRB2TAAR1HTR1AKCNH2
SCHEMBL10996008 0.92 GABRA1 (0.40) GABRA1GABRB2TAAR1HTR1AKCNH2
SCHEMBL9047350 0.90 GABRA1 (0.39) GABRA1GABRB2TAAR1HTR1A
SCHEMBL9045322 0.87 TAAR1 (0.38) GABRA1GABRB2TAAR1HTR1A
SCHEMBL9045061 0.87 GABRA1 (0.45) GABRA1GABRB2TAAR1HTR1AKCNH2
SCHEMBL9047377 0.87 GABRA1 (0.36) GABRA1GABRB2TAAR1HTR1A
SCHEMBL200072 0.86 GABRA1 (0.46) GABRA1GABRB2TAAR1HTR1AKCNH2
SCHEMBL198944 0.85 GRM5 (0.35) GABRA1GABRB2KCNH2BIDMCL1
SCHEMBL9046757 0.84 PTGS2 (0.44) TAAR1PPARA
SCHEMBL9047481 0.84 GABRA1 (0.43) GABRA1GABRB2TAAR1HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0690854-A1 1-PHENYL-IMIDAZOL-2-ONE BIPHENYLMETHYL COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS G.D. SEARLE & CO. (US) 1996-01-10 EP claimed
US-10451967-B2 Acid- and radical-generating agent and method for generating acid and radical FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2019-10-22 US disclosed
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2016-11-24 US disclosed
US-8088922-B2 Dibenzorylenetetracarboximides as infrared absorbers BASF AKTIENGESELLSCHAFT (DE) 2012-01-03 US disclosed
EP-2029573-B1 DIBENZORYLENETETRACARBOXIMIDES AS INFRARED ABSORBERS BASF SE (DE) 2011-10-26 EP disclosed
US-20100048904-A1 DIBENZORYLENETETRACARBOXIMIDES AS INFRARED ABSORBERS BASF AKTIENGESELLSCHAFT (DE) 2010-02-25 US disclosed
EP-2029573-A1 DIBENZORYLENETETRACARBOXIMIDES AS INFRARED ABSORBERS BASF SE (DE) 2009-03-04 EP disclosed
WO-2007138051-A1 DIBENZORYLENETETRACARBOXIMIDES AS INFRARED ABSORBERS BASF SE (DE) 2007-12-06 WO disclosed
EP-0638075-B1 THIAZOLE OR IMIDAZOLE DERIVATIVES AS MAILLARD REACTION INHIBITORS OTSUKA PHARMA CO LTD (JP) 2002-01-16 EP disclosed
CN-1067992-C Substituted thiazolidine derivatives and pharmaceutical compositions containing them and use thereof OTSUKA PHARMA CO LTD (JP) 2001-07-04 CN disclosed
CN-1184105-A Substituted thiazolidine derivatives and pharmaceutical compositions containing them and use thereof OTSUKA PHARMA CO LTD (JP) 1998-06-10 CN disclosed
CN-1037842-C Substituted thiazolidine derivatives, pharmaceutical compositions and uses thereof OTSUKA PHARMA CO LTD (JP) 1998-03-25 CN disclosed
US-5677322-A THERAPY FOR AGING, DIABETES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-10-14 US disclosed
EP-0690854-A1 1-PHENYL-IMIDAZOL-2-ONE BIPHENYLMETHYL COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS G.D. SEARLE & CO. (US) 1996-01-10 EP disclosed
CN-1106982-A Maillard reaction inhibitor OTSUKA PHARMA CO LTD (JP) 1995-08-16 CN disclosed
EP-0664802-A1 N-ARYLHETEROARYLALKYL 1-PHENYL-IMIDAZOL-2-ONE COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS G.D. SEARLE & CO. (US) 1995-08-02 EP disclosed
EP-0638075-A1 THIAZOLE OR IMIDAZOLE DERIVATIVES AS MAILLARD REACTION INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-02-15 EP disclosed
WO-1994019335-A1 THIAZOLE OR IMIDAZOLE DERIVATIVES AS MAILLARD REACTION INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-09-01 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 (3 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-20100048904-A1 DIBENZORYLENETETRACARBOXIMIDES AS INFRARED ABSORBERS TDO2, C9, CYP3A43 GABRA1 1449/4885GABRB2 870/4885TAAR1 2206/4885
US-10451967-B2 Acid- and radical-generating agent and method for generating acid and radical CBR1, HAO2, CBR3 GABRA1 924/4885GABRB2 2041/4885TAAR1 1102/4885
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL CBR1, HAO2, CBR3 GABRA1 924/4885GABRB2 2041/4885TAAR1 1102/4885

“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.