SCHEMBL5898906

SCHEMBL5898906

Oc1cc2c(cc1O)[C@H](Cc1cccc3ccccc13)NCC2

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 7/20 0.64
DRD2 P14416 2/20 0.57
DRD4 P21917 2/20 0.57
KDM1A O60341 2/20 0.57
MEN1 O00255 1/20 0.57
ABL1 P00519 1/20 0.57
ALPL P05186 1/20 0.57
GAA P10253 1/20 0.57
KMT2A Q03164 1/20 0.57
RIN1 Q13671 1/20 0.57
TBXA2R P21731 6/20 0.55
ADRB1 P08588 2/20 0.54
ADRB3 P13945 1/20 0.53

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
SCHEMBL5898981 1.00 ADRB2 (0.64) ADRB2DRD2DRD4KDM1AMEN1
SCHEMBL5898915 1.00 ADRB2 (0.64) ADRB2DRD2DRD4KDM1AMEN1
SCHEMBL29440266 1.00 ADRB2 (0.64) ADRB2DRD2DRD4KDM1AMEN1
Bromide SCHEMBL5898965 0.99 ADRB2 (0.63) ADRB2DRD2DRD4KDM1AMEN1
Bromide SCHEMBL26186975 0.99 ADRB2 (0.63) ADRB2DRD2DRD4KDM1AMEN1
Bromide SCHEMBL4249633 0.99 ADRB2 (0.63) ADRB2DRD2DRD4KDM1AMEN1
Bromide SCHEMBL30596426 0.98 ADRB2 (0.62) ADRB2DRD2DRD4KDM1AMEN1
SCHEMBL27432423 0.93 ADRB2 (0.59) ADRB2DRD2DRD4KDM1AMEN1
SCHEMBL4251199 0.92 ADRB2 (0.56) ADRB2DRD2DRD4KDM1AMEN1
SCHEMBL2456449 0.88 ADRB2 (0.55) ADRB2DRD2DRD4KDM1AMEN1

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 13 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
EP-1124554-B1 PHARMACEUTICAL COMPOSITIONS CONTAINING TETRAHYDROISOQUINOLINE COMPOUNDS KOREA INST SCI & TECH (KR) 2003-09-24 EP claimed
US-6562837-B1 Administering a pharmaceutical composition comprising 1-alpha-naphthylmethyl-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinoline and/or 1- beta -naphthylmethyl-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinoline KOREA INSTITUTE OF SCIENCE & TECHNOLOGY (KR) 2003-05-13 US claimed
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
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
EP-1124554-B1 PHARMACEUTICAL COMPOSITIONS CONTAINING TETRAHYDROISOQUINOLINE COMPOUNDS KOREA INST SCI & TECH (KR) 2003-09-24 EP disclosed
US-6562837-B1 Administering a pharmaceutical composition comprising 1-alpha-naphthylmethyl-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinoline and/or 1- beta -naphthylmethyl-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinoline KOREA INSTITUTE OF SCIENCE & TECHNOLOGY (KR) 2003-05-13 US 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-20060058346-A1 Novel enantiomers of etrahydroisoquinoline derivatives and theirpharmaceutically acceptable salts, their preparations and pharmaceutical compositions TBXA2R, NOS2, TBXAS1 ADRB2 24/4885DRD2 641/4885DRD4 1187/4885

“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.