SCHEMBL4247485

SCHEMBL4247485

COc1cc2c(cc1OC)[C@@H](Cc1cccc3ccccc13)NCC2

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.58
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.52
KDM4E B2RXH2 1/20 0.50
MAPT P10636 1/20 0.50
PKM P14618 1/20 0.50
KDM4C Q9H3R0 1/20 0.50
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
TSHR P16473 1/20 0.49

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
SCHEMBL4247469 1.00 BCHE (0.58) BCHEKMT2AMEN1KDM4EMAPT
SCHEMBL4250735 1.00 BCHE (0.58) BCHEKMT2AMEN1KDM4EMAPT
Bromide SCHEMBL6181180 0.99 BCHE (0.57) BCHEKMT2AMEN1KDM4EMAPT
Bromide SCHEMBL6183225 0.99 BCHE (0.57) BCHEKMT2AMEN1KDM4EMAPT
SCHEMBL6181835 0.89 KMT2A (0.53) BCHEKMT2AMEN1KDM4C
SCHEMBL9411108 0.87 BCHE (0.64) BCHEKMT2AMEN1KDM4EMAPT
SCHEMBL31358960 0.83 BCHE (0.60) BCHEKMT2AMEN1KDM4EMAPT
SCHEMBL26368493 0.83 BCHE (0.60) BCHEKMT2AMEN1KDM4EMAPT
SCHEMBL12634232 0.83 BCHE (0.60) BCHEKMT2AKDM4EMAPTKDM4C
SCHEMBL5898915 0.82 ADRB2 (0.64) KMT2AMEN1

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 6 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
CN-101336241-A Method for resolving enantiomers from racemic mixture having chiral carbon in alpha position of nitrogen CHONG KUN DANG PHARM CORP (KR) 2008-12-31 CN 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 3931/4885MEN1 4467/4885
US-20090036679-A1 METHOD FOR RESOLVING ENANTIOMERS FROM RACEMIC MIXTURE HAVING CHIRAL CARBON IN ALPHA POSITION OF NITROGEN SRR, NPEPPS, DNPEP BCHE 11/4885KMT2A 4063/4885MEN1 3867/4885

“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.