SCHEMBL162234

SCHEMBL162234

COc1ccc(C(N)(c2ccc(OC)cc2)C(N)C(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.46
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
MAOA P21397 2/20 0.42
MAOB P27338 2/20 0.42
TDP1 Q9NUW8 3/20 0.41
MAPK1 P28482 2/20 0.41
ALDH1A1 P00352 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
KIF11 P52732 6/20 0.39
SLC6A3 Q01959 1/20 0.39
AOC3 Q16853 1/20 0.39
TSHR P16473 1/20 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
SCHEMBL2837925 1.00 SLC6A4 (0.46) SLC6A4CA12CA1CA2CA7
SCHEMBL636461 1.00 SLC6A4 (0.46) SLC6A4CA12CA1CA2CA7
SCHEMBL30664386 0.98 SLC6A4 (0.44) SLC6A4CA12CA1CA2CA7
SCHEMBL10038034 0.93 ACHE (0.52) SLC6A4CA12CA1CA2CA7
SCHEMBL16329073 0.93 ACHE (0.52) SLC6A4CA12CA1CA2CA7
SCHEMBL14596128 0.86 SLC6A4 (0.47) SLC6A4CA12CA1CA2CA7
SCHEMBL635988 0.86 SLC6A4 (0.47) SLC6A4CA12CA1CA2CA7
SCHEMBL5124406 0.84 SLC6A4 (0.43) SLC6A4CA12CA1CA2CA7
SCHEMBL1466083 0.82 ALDH1A1 (0.42) SLC6A4ALDH1A1CYP3A4CYP1A2CYP2D6
SCHEMBL8653942 0.82 SLC6A4 (0.46) SLC6A4MAOAMAPK1ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117902990-A Preparation method of ilalastine intermediate (R) -6- (2-amino-4-methoxyphenyl) -5,6,7, 8-tetrahydronaphthalene-2-ol 海化生命(厦门)科技有限公司 2024-04-19 CN claimed
US-20160175829-A1 CATALYST SYSTEMS FOR USE IN CONTINUOUS FLOW REACTORS AND METHODS OF MANUFACTURE AND USE THEREOF THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2016-06-23 US claimed
EP-2264000-B1 METHOD FOR PRODUCING OPTICALLY ACTIVE AMINOALCOHOL COMPOUND USING RUTHENIUM COMPOUND NIPPON SODA CO (JP) 2016-05-11 EP claimed
EP-1927596-B9 DIPHOSPHINE LIGAND AND TRANSITION METAL COMPLEX USING THE SAME TAKEDA PHARMACEUTICAL (JP) 2013-05-15 EP claimed
EP-1927596-B1 DIPHOSPHINE LIGAND AND TRANSITION METAL COMPLEX USING THE SAME TAKEDA PHARMACEUTICAL (JP) 2012-08-01 EP claimed
US-8207379-B2 Ruthenium compound and method for producing optically active aminoalcohol compound NIPPON SODA CO., LTD. (JP) 2012-06-26 US claimed
EP-2420507-A1 Diphosphine ligand and transition metal complex using the same Takeda Pharmaceutical Company Limited (JP) 2012-02-22 EP claimed
US-20110028749-A1 RUTHENIUM COMPOUND AND METHOD FOR PRODUCING OPTICALLY ACTIVE AMINOALCOHOL COMPOUND NIPPON SODA CO., LTD. (JP) 2011-02-03 US claimed
EP-2264000-A1 RUTHENIUM COMPOUND AND METHOD FOR PRODUCING OPTICALLY ACTIVE AMINOALCOHOL COMPOUND Nippon Soda Co., Ltd. (JP) 2010-12-22 EP claimed
US-20100311975-A1 CATIONIC TRANSITION METAL CATALYSTS KANATA CHEMICAL TECHNOLOGIES INC. (CA) 2010-12-09 US claimed
EP-1674465-A1 Process for obtaining enantiomers of thienylazolylalcoxyethanamines LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-06-28 EP claimed
US-6984738-B2 Process for production of optically active amino alcohols YOKOZAWA TOHRU 2006-01-10 US claimed
US-6979742-B1 Process for obtaining enantiomers of thienylazolylalcoxyethanamines LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2005-12-27 US claimed
US-6790973-B2 REDUCTION OF KETONE TO ALCOHOL USING COMPLEX CATALYST KANTO KAGAKU KABUSHIKI KAISHA (JP) 2004-09-14 US claimed
US-20030166978-A1 Novel ruthenium complexes and process for preparing alcoholic compounds using these KANTO KAGAKU KABUSHIKI KAISHA (JP) 2003-09-04 US claimed
EP-1323724-A2 Novel ruthenium complexes and process for preparing alcoholic compounds using these Kanto Kagaku Kabushiki Kaisha (JP) 2003-07-02 EP claimed
EP-0912467-B1 ASYMMETRIC HYDROGENATION METHOD OF A KETONIC COMPOUND AND DERIVATIVE RHODIA CHIMIE SA (FR) 2002-04-24 EP claimed
EP-0912467-A1 ASYMMETRIC HYDROGENATION METHOD OF A KETONIC COMPOUND AND DERIVATIVE RHODIA CHIMIE (FR) 1999-05-06 EP claimed
US-5763688-A HYDROGENATING A CARBONYL COMPOUND, RUTHENIUM-PHOSPHINE COMPLEX CATALYST, BASE, DIAMINE RESEARCH DEVELOPMENT CORPORATION OF JAPAN (JP) 1998-06-09 US claimed
WO-1998000375-A1 ASYMMETRIC HYDROGENATION METHOD OF A KETONIC COMPOUND AND DERIVATIVE RHODIA CHIMIE (FR) 1998-01-08 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20160175829-A1 CATALYST SYSTEMS FOR USE IN CONTINUOUS FLOW REACTORS AND METHODS OF MANUFACTURE AND USE THEREOF TKFC, F2, PICALM SLC6A4 4138/4885CA12 197/4885CA1 234/4885
US-20100311975-A1 CATIONIC TRANSITION METAL CATALYSTS AP2M1, OPRM1, CD81 SLC6A4 1993/4885CA12 2196/4885CA1 2319/4885
US-20110028749-A1 RUTHENIUM COMPOUND AND METHOD FOR PRODUCING OPTICALLY ACTIVE AMINOALCOHOL COMPOUND PDHX, PKLR, RIOX2 SLC6A4 3579/4885CA12 4478/4885CA1 3853/4885
US-20030166978-A1 Novel ruthenium complexes and process for preparing alcoholic compounds using these ADH1C, ADH1A, ADH5 SLC6A4 4133/4885CA12 2275/4885CA1 1426/4885

“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.