SCHEMBL3589695

SCHEMBL3589695

C[C@@H]1O[C@H]1c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.43
ADRA1A P35348 1/20 0.43
HTR2B P41595 1/20 0.43
SLC6A3 Q01959 1/20 0.43
EPHX1 P07099 5/20 0.42
CYP2C19 P33261 2/20 0.42
HTR1A P08908 1/20 0.42
TSHR P16473 2/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CHRM2 P08172 4/20 0.38
CHRM4 P08173 4/20 0.38
CHRM5 P08912 4/20 0.38
CHRM1 P11229 4/20 0.38
CHRM3 P20309 4/20 0.38

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
SCHEMBL4620835 1.00 SLC6A2 (0.43) SLC6A2ADRA1AHTR2BSLC6A3EPHX1
SCHEMBL51824 1.00 SLC6A2 (0.43) SLC6A2ADRA1AHTR2BSLC6A3EPHX1
SCHEMBL2700400 1.00 SLC6A2 (0.43) SLC6A2ADRA1AHTR2BSLC6A3EPHX1
SCHEMBL4620826 1.00 SLC6A2 (0.43) SLC6A2ADRA1AHTR2BSLC6A3EPHX1
SCHEMBL5560221 1.00 SLC6A2 (0.43) SLC6A2ADRA1AHTR2BSLC6A3EPHX1
SCHEMBL6272191 1.00 SLC6A2 (0.43) SLC6A2ADRA1AHTR2BSLC6A3EPHX1
SCHEMBL5273177 1.00 SLC6A2 (0.43) SLC6A2ADRA1AHTR2BSLC6A3EPHX1
Methyl Alcohol SCHEMBL8766906 0.95 EPHX1 (0.43) SLC6A2ADRA1AHTR2BSLC6A3EPHX1
SCHEMBL9147278 0.88 CYP2C19 (0.48) SLC6A2ADRA1AHTR2BSLC6A3EPHX1
SCHEMBL4158886 0.88 PTAFR (0.37) SLC6A2ADRA1AHTR2BSLC6A3EPHX1

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 91 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111217769-B Method for synthesizing epoxy compound by catalyzing olefin epoxy by using nano alumina 华南理工大学 2023-04-21 CN claimed
US-20240423207-A1 PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY CORTEVA AGRISCIENCE LLC (US) 2024-12-26 US disclosed
US-12114660-B2 Picolinamide compounds with fungicidal activity CORTEVA AGRISCIENCE LLC (US) 2024-10-15 US disclosed
US-20230371516-A1 PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY CORTEVA AGRISCIENCE LLC (US) 2023-11-23 US disclosed
US-20230371516-A1 PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY CORTEVA AGRISCIENCE LLC (US) 2023-11-23 US disclosed
WO-2023191721-A2 PRODUCTION OF ENANTIOPURE ALCOHOLS, AMINES AND ACIDS FROM ALKENES BY CASCADE BIOTRANSFORMATION INVOLVING 1,2-METHYL SHIFT NATIONAL UNIVERSITY OF SINGAPORE (SG) 2023-10-05 WO disclosed
WO-2023191721-A2 PRODUCTION OF ENANTIOPURE ALCOHOLS, AMINES AND ACIDS FROM ALKENES BY CASCADE BIOTRANSFORMATION INVOLVING 1,2-METHYL SHIFT NATIONAL UNIVERSITY OF SINGAPORE (SG) 2023-10-05 WO disclosed
US-11751568-B2 Picolinamide compounds with fungicidal activity CORTEVA AGRISCIENCE LLC (US) 2023-09-12 US disclosed
US-11751568-B2 Picolinamide compounds with fungicidal activity CORTEVA AGRISCIENCE LLC (US) 2023-09-12 US disclosed
CN-111217769-B Method for synthesizing epoxy compound by catalyzing olefin epoxy by using nano alumina 华南理工大学 2023-04-21 CN disclosed
WO-2005113783-A1 PROCESS FOR AN ENZYMATIC OXYGENATION BY DIRECT ELECTROCHEMICAL REGENERATION OF THE FAD-DEPENDANT MONOOXYGENASE BASF AKTIENGESELLSCHAFT (DE) 2005-12-01 WO disclosed
EP-1595956-A1 Process for an enzymatic oxygenation by direct electrochemical regeneration of the FAD-dependent monooxygenase BASF AKTIENGESELLSCHAFT (DE) 2005-11-16 EP disclosed
EP-0755923-B1 Ameliorant or remedy for symptoms caused by Ischemic diseases and Phenylpiperidine compounds useful therefor DAIICHI SUNTORY PHARMA CO LTD (JP) 2005-05-04 EP disclosed
US-20040186138-A1 Arylpiperidinol and arylpiperidine derivatives and pharmaceuticals containing the same DAIICHI SUNTORY PHARMA CO., LTD. 2004-09-23 US disclosed
US-6528531-B1 Coccidiosis in poultry; MERCK & CO., INC. 2003-03-04 US disclosed
US-6469010-B1 COMPOSITION ALSO FOR ALLEVIATION OR TREATMENT OF SYMPTOMS DERIVED FROM SEIZURES, EPILEPSY AND MIGRAINE HEADACHES, AND SUPPRESSION OF CALCIUM ION OVERLOAD SUNTORY LIMITED (JP) 2002-10-22 US disclosed
US-6455549-B1 ANTIEPILEPTIC, ANTIISCHEMIC, AND ANTIMIGRAINE AGENTS; CALCIUM OVELOAD SUPPRESSANTS SUNTORY LIMITED (JP) 2002-09-24 US disclosed
US-6048876-A ANTICONVULSANTS; ANTIEPILEPIC AGENT SUNTORY LIMITED (JP) 2000-04-11 US disclosed
EP-0867183-A1 ARYLPIPERIDINOL AND ARYLPIPERIDINE DERIVATIVES AND DRUGS CONTAINING THE SAME SUNTORY LIMITED (JP) 1998-09-30 EP disclosed
EP-0755923-A1 AMELIORANT OR REMEDY FOR SYMPTOMS CAUSED BY ISCHEMIC DISEASES AND COMPOUNDS USEFUL THEREFOR SUNTORY LIMITED (JP) 1997-01-29 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 (5 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-20230371516-A1 PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY PFAS, CASP2, CYP1A2 SLC6A2 3163/4885ADRA1A 4203/4885HTR2B 2843/4885
US-11751568-B2 Picolinamide compounds with fungicidal activity PFAS, CASP2, CYP1A2 SLC6A2 3163/4885ADRA1A 4203/4885HTR2B 2843/4885
US-12114660-B2 Picolinamide compounds with fungicidal activity PFAS, CASP2, CYP1A2 SLC6A2 3163/4885ADRA1A 4203/4885HTR2B 2843/4885
US-20240423207-A1 PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY PFAS, CASP2, CYP1A2 SLC6A2 3163/4885ADRA1A 4203/4885HTR2B 2843/4885
US-20040186138-A1 Arylpiperidinol and arylpiperidine derivatives and pharmaceuticals containing the same KCNH1, KCNH2, NPY1R SLC6A2 2045/4885ADRA1A 280/4885HTR2B 156/4885

“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.