SCHEMBL4245372

SCHEMBL4245372

COc1ccc(C[C@@H]2NCCc3cc(OC)c(OC)cc32)cc1

nearest known ligand 0.82

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BCHE P06276 3/20 0.79
KMT2A Q03164 2/20 0.73
ACHE P22303 2/20 0.69
KDM4E B2RXH2 2/20 0.68
MAPT P10636 2/20 0.68
PKM P14618 2/20 0.68
MEN1 O00255 1/20 0.67
TDP1 Q9NUW8 1/20 0.67

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
SCHEMBL29590605 1.00 BCHE (0.79) BCHEKMT2AACHEKDM4EMAPT
SCHEMBL4251359 1.00 BCHE (0.79) BCHEKMT2AACHEKDM4EMAPT
SCHEMBL4027475 1.00 BCHE (0.79) BCHEKMT2AACHEKDM4EMAPT
Hydrochloric Acid SCHEMBL28933519 0.99 BCHE (0.77) BCHEKMT2AACHEKDM4EMAPT
Bromide SCHEMBL5898942 0.99 BCHE (0.77) BCHEKMT2AACHEKDM4EMAPT
Bromide SCHEMBL5898925 0.99 BCHE (0.77) BCHEKMT2AACHEKDM4EMAPT
Hydrochloric Acid SCHEMBL28933498 0.92 KDM4E (0.73) BCHEKMT2AACHEKDM4EMAPT
SCHEMBL28933497 0.90 KDM4E (0.78) BCHEKMT2AACHEKDM4EMAPT
Tetrahydropapaverine SCHEMBL251076 0.89 BCHE (0.79) BCHEKDM4EMAPTPKM
Tetrahydropapaverine SCHEMBL6398843 0.89 BCHE (0.79) BCHEKDM4EMAPTPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060058346-A1 Novel enantiomers of etrahydroisoquinoline derivatives and theirpharmaceutically acceptable salts, their preparations and pharmaceutical compositions YUN-CHOI HYE-SOOK 2006-03-16 US claimed
EP-1507764-A4 NOVEL ENANTIOMERS OF TETRAHYDROISOQUINOLINE DERIVATIVES AND THEIR PHARMACEUTICALLY ACCEPTABLE SALTS, THEIR PREPARATIONS AND PHARMACEUTICAL COMPOSITIONS YUN-CHOI HYE-SOOK (KR) 2005-06-22 EP claimed
EP-1507764-A1 NOVEL ENANTIOMERS OF TETRAHYDROISOQUINOLINE DERIVATIVES AND THEIR PHARMACEUTICALLY ACCEPTABLE SALTS, THEIR PREPARATIONS AND PHARMACEUTICAL COMPOSITIONS Yun-Choi, Hye-Sook (KR) 2005-02-23 EP claimed
WO-2003095426-A1 NOVEL ENANTIOMERS OF TETRAHYDROISOQUINOLINE DERIVATIVES AND THEIR PHARMACEUTICALLY ACCEPTABLE SALTS, THEIR PREPARATIONS AND PHARMACEUTICAL COMPOSITIONS YUN-CHOI HYE-SOOK (KR) 2003-11-20 WO claimed
US-20090036679-A1 METHOD FOR RESOLVING ENANTIOMERS FROM RACEMIC MIXTURE HAVING CHIRAL CARBON IN ALPHA POSITION OF NITROGEN CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2009-02-05 US disclosed
US-20060058346-A1 Novel enantiomers of etrahydroisoquinoline derivatives and theirpharmaceutically acceptable salts, their preparations and pharmaceutical compositions YUN-CHOI HYE-SOOK 2006-03-16 US disclosed
EP-1507764-A4 NOVEL ENANTIOMERS OF TETRAHYDROISOQUINOLINE DERIVATIVES AND THEIR PHARMACEUTICALLY ACCEPTABLE SALTS, THEIR PREPARATIONS AND PHARMACEUTICAL COMPOSITIONS YUN-CHOI HYE-SOOK (KR) 2005-06-22 EP disclosed
EP-1507764-A1 NOVEL ENANTIOMERS OF TETRAHYDROISOQUINOLINE DERIVATIVES AND THEIR PHARMACEUTICALLY ACCEPTABLE SALTS, THEIR PREPARATIONS AND PHARMACEUTICAL COMPOSITIONS Yun-Choi, Hye-Sook (KR) 2005-02-23 EP disclosed
WO-2003095426-A1 NOVEL ENANTIOMERS OF TETRAHYDROISOQUINOLINE DERIVATIVES AND THEIR PHARMACEUTICALLY ACCEPTABLE SALTS, THEIR PREPARATIONS AND PHARMACEUTICAL COMPOSITIONS YUN-CHOI HYE-SOOK (KR) 2003-11-20 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 (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-20060058346-A1 Novel enantiomers of etrahydroisoquinoline derivatives and theirpharmaceutically acceptable salts, their preparations and pharmaceutical compositions TBXA2R, NOS2, TBXAS1 BCHE 1219/4885KMT2A 3931/4885ACHE 1102/4885
US-20090036679-A1 METHOD FOR RESOLVING ENANTIOMERS FROM RACEMIC MIXTURE HAVING CHIRAL CARBON IN ALPHA POSITION OF NITROGEN SRR, NPEPPS, DNPEP BCHE 11/4885KMT2A 4063/4885ACHE 76/4885

“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.