SCHEMBL6437154

SCHEMBL6437154

COc1ccc(C[C@@H]2NCCC3=C2CCCC3)cc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.43
KDM4E B2RXH2 2/20 0.42
MAPT P10636 2/20 0.42
PKM P14618 2/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 1/20 0.41
CHRM4 P08173 1/20 0.41
DRD2 P14416 1/20 0.41
HTR7 P34969 1/20 0.41

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
SCHEMBL2064742 1.00 BCHE (0.43) BCHEKDM4EMAPTPKMKMT2A
SCHEMBL6436095 1.00 BCHE (0.43) BCHEKDM4EMAPTPKMKMT2A
Hydrochloric Acid SCHEMBL29199502 0.99 BCHE (0.42) BCHEKDM4EMAPTPKMKMT2A
Hydrochloric Acid SCHEMBL11535212 0.99 BCHE (0.42) BCHEKDM4EMAPTPKMKMT2A
Acetic Acid SCHEMBL10657697 0.92 CYP2D6 (0.44) BCHEKDM4EMAPTPKMKMT2A
Acetic Acid SCHEMBL10657702 0.92 CYP2D6 (0.44) BCHEKDM4EMAPTPKMKMT2A
Formic Acid SCHEMBL2065536 0.92 BCHE (0.41) BCHEKDM4EMAPTPKMKMT2A
Acetic Acid SCHEMBL10657706 0.92 CYP2D6 (0.44) BCHEKDM4EMAPTPKMKMT2A
SCHEMBL19427382 0.83 PRCP (0.40) BCHEKDM4EMAPTPKMKMT2A
SCHEMBL16591499 0.83 PRCP (0.40) BCHEKDM4EMAPTPKMKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115927230-B Imine reductase mutant, preparation method thereof and application of imine reductase mutant in catalyzing preparation of dextromethorphan intermediate Jindawei Biotechnology (Jiangsu) Co.,Ltd. (CN) 2026-05-26 CN claimed
CN-116265579-A Cyclohexylamine oxidase mutant and application thereof in preparation of dextromethorphan intermediate 复旦大学 2023-06-20 CN claimed
CN-115927230-A Imine reductase mutant, preparation method thereof and application of imine reductase mutant in catalytic preparation of dextromethorphan intermediate 金达威生物技术(江苏)有限公司 2023-04-07 CN claimed
CN-110007028-B Method for detecting (S) -1- (4-methoxybenzyl) -1,2,3,4,5,6,7, 8-octahydroisoquinoline isomer 上海葆隆生物科技有限公司 2021-12-10 CN claimed
CN-110628841-B Novel method for synthesizing key intermediate of dextromethorphan through enzyme catalysis asymmetry 中国科学院天津工业生物技术研究所 2021-11-23 CN claimed
CN-110628841-A Novel method for synthesizing key intermediate of dextromethorphan through enzyme catalysis asymmetry 中国科学院天津工业生物技术研究所 2019-12-31 CN claimed
CN-110007028-A (S) detection method of -1- (4- methoxybenzyl) -1,2,3,4,5,6,7,8- octahydro isoquinolin isomers 上海葆隆生物科技有限公司 2019-07-12 CN claimed
CN-108383786-A (S) -1- (4- methoxy-benzyls) -1,2,3,4,5,6,7,8- octahydro isoquinolin the preparation methods 启东东岳药业有限公司 2018-08-10 CN claimed
CN-104761494-B A kind of preparation method of (S) or (R) 1 (4 methoxy-benzyl) 1,2,3,4,5,6,7,8 octahydro isoquinolin 上海医药工业研究院 2018-01-19 CN claimed
CN-104761494-A Preparation method of (S) or (R)-1-(4-methoxy benzyl)-1,2,3,4,5,6,7,8-octahydro isoquinoline SHANGHAI INST PHARM INDUSTRY 2015-07-08 CN claimed
CN-1639127-A Process for asymmetric hydrogenation of hexahydroquinoline salts DSM IP ASSETS BV (NL) 2005-07-13 CN claimed
US-20050148776-A1 Process for asymmetric hydrogenation of hexahydroquinoline salts DSM IP ASSETS B.V. (NL) 2005-07-07 US claimed
EP-1485357-B1 PROCESS FOR ASYMMETRIC HYDROGENATION OF HEXAHYDROQUINOLINE SALTS DSM IP ASSETS BV (NL) 2005-07-06 EP claimed
EP-1485357-A1 PROCESS FOR ASYMMETRIC HYDROGENATION OF HEXAHYDROQUINOLINE SALTS DSM IP Assets B.V. (NL) 2004-12-15 EP claimed
WO-2003078399-A1 PROCESS FOR ASYMMETRIC HYDROGENATION OF HEXAHYDROQUINOLINE SALTS DSM IP ASSETS B.V. (NL) 2003-09-25 WO claimed
EP-0850931-B1 Process for the preparation of optically active (R or S)-1-(4-methoxy-benzyl)-1,2,3,4,5,6,7,8-octahydro-isoquinolines HOFFMANN LA ROCHE (CH) 2003-05-02 EP claimed
JP-10182612-A None JP disclosed
CN-115927230-B Imine reductase mutant, preparation method thereof and application of imine reductase mutant in catalyzing preparation of dextromethorphan intermediate Jindawei Biotechnology (Jiangsu) Co.,Ltd. (CN) 2026-05-26 CN disclosed
EP-0839135-A1 PROCESS FOR PREPARING OPTICALLY ACTIVE 1-(P-METHOXYBENZYL)-1,2,3,4,5,6,7,8-OCTAHYDROISOQUINOLINE LONZA AG (CH) 1998-05-06 EP disclosed
WO-1997003052-A1 PROCESS FOR PREPARING OPTICALLY ACTIVE 1-(P-METHOXYBENZYL)-1,2,3,4,5,6,7,8-OCTAHYDROISOQUINOLINE LONZA AG (CH) 1997-01-30 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 (1 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-20050148776-A1 Process for asymmetric hydrogenation of hexahydroquinoline salts HRH1, HRH4, HRH2 BCHE 315/4885KDM4E 3360/4885MAPT 3305/4885

“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.