SCHEMBL134254

SCHEMBL134254

OB(O)c1ccccc1SCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.55
KMT2A Q03164 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MEN1 O00255 1/20 0.45
LIPE Q05469 1/20 0.44
PTPRC P08575 1/20 0.44
HTT P42858 1/20 0.43
HSD17B10 Q99714 1/20 0.41
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
PRMT1 Q99873 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.39
S100A4 P26447 1/20 0.39
IDO1 P14902 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
SCHEMBL29952130 1.00 POLB (0.55) POLBKMT2AL3MBTL1MEN1LIPE
SCHEMBL15577067 0.86 POLB (0.49) POLBKMT2AL3MBTL1MEN1LIPE
SCHEMBL3066737 0.78 LIPG (0.41) L3MBTL1LIPEHTTHSD17B10ALDH1A1
SCHEMBL2490441 0.74 PTGS2 (0.49) LIPEALDH1A1LIPG
SCHEMBL77392 0.74 POLB (0.61) POLBKMT2AL3MBTL1MEN1PTPRC
SCHEMBL6916799 0.74 POLB (0.61) POLBKMT2AL3MBTL1MEN1PTPRC
SCHEMBL29700326 0.74 POLB (0.61) POLBKMT2AL3MBTL1MEN1PTPRC
SCHEMBL31497763 0.73 POLB (0.50) POLBKMT2AL3MBTL1MEN1LIPE
SCHEMBL6638095 0.72 POLB (0.59) POLBKMT2AL3MBTL1MEN1PTPRC
SCHEMBL1903485 0.72 APOBEC3G (0.59) POLBKMT2AL3MBTL1MEN1PTPRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9499531-B2 Aryl- and heteroaryl-substituted tetrahydroisoquinolines and use thereof to block reuptake of norepinephrine, dopamine, and serotonin ALBANY MOLECULAR RESEARCH, INC. (US) 2016-11-22 US disclosed
US-9359393-B2 Photoresponsive nucleic acid manufacturing method JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2016-06-07 US disclosed
US-20150274713-A1 ARYL- AND HETEROARYL-SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN CURIA GLOBAL, INC. 2015-10-01 US disclosed
EP-1778639-B1 ARYL-AND HETEROARYL-SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN ALBANY MOLECULAR RES INC (US) 2015-09-02 EP disclosed
US-9085531-B2 Aryl- and heteroaryl-substituted tetrahydroisoquinolines and use thereof to block reuptake of norepinephrine, dopamine, and serotonin ALBANY MOLECULAR RESEARCH, INC. (US) 2015-07-21 US disclosed
US-20140243524-A1 ARYL- AND HETEROARYL-SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN ALBANY MOLECULAR RESEARCH, INC. (US) 2014-08-28 US disclosed
EP-2253640-B1 PHOTORESPONSIVE NUCLEIC ACID MANUFACTURING METHOD JAPAN SCIENCE & TECH AGENCY (JP) 2014-07-30 EP disclosed
US-8741901-B2 Aryl- and heteroaryl-substituted tetrahydroisoquinolines and use thereof to block reuptake of norepinephrine, dopamine, and serotonin ALBANY MOLECULAR RESEARCH, INC. (US) 2014-06-03 US disclosed
US-20140107331-A1 PHOTORESPONSIVE NUCLEIC ACID MANUFACTURING METHOD JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2014-04-17 US disclosed
US-8642754-B2 Photoresponsive nucleic acid manufacturing method JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2014-02-04 US disclosed
US-20060063766-A1 Use of aryl- and heteroaryl-substituted tetrahydroisoquinolines to block reuptake of norepinephrine, dopamine, and serotonin ALBANY MOLECULAR RESEARCH, INC. 2006-03-23 US disclosed
US-20060052378-A1 Psychological disorders; analgesics; eating disorders; drug abuse; 4-(8-chloro-naphthalen-2-yl)-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol; 7-(6-methoxy-pyrazin-2yl)-2-methyl-4-(naphthalene-2-yl)-1,2,3,4-tetrahydroisoquinoline; treating amide intermediates with sodium borohydride CURIA GLOBAL, INC. 2006-03-09 US disclosed
WO-2006020049-A2 ARYL-AND HETEROARYL-SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN AMR TECHNOLOGY, INC. (US) 2006-02-23 WO disclosed
US-20060025460-A1 Compounds and methods for inhibiting the interaction of BCL proteins with binding partners INFINITY PHARMACEUTICALS, INC. (US) 2006-02-02 US disclosed
WO-2006009869-A1 COUMPOUNDS AND METHODS FOR INHIBITING THE INTERACTION OF BCL PROTEINS WITH BINDING PARTNERS INFINITY PHARMACEUTICALS, INC. (US) 2006-01-26 WO disclosed
EP-1594855-A2 SIGNALLING COMPOUNDS FOR USE IN METHODS OF DETECTING HYDROGEN PEROXIDE LUMIGEN, INC. (US) 2005-11-16 EP disclosed
US-6919463-B2 Signalling compounds for use in methods of detecting hydrogen peroxide LUMIGEN, INC. (US) 2005-07-19 US disclosed
WO-2004074810-A2 SIGNALLING COMPOUNDS FOR USE IN METHODS OF DETECTING HYDROGEN PEROXIDE LUMIGEN INC. (US) 2004-09-02 WO disclosed
US-20040171098-A1 Signalling compounds for use in methods of detecting hydrogen peroxide LUMIGEN INC. 2004-09-02 US disclosed
US-20040166539-A1 Signalling compounds and methods for detecting hydrogen peroxide LUMIGEN, INC. 2004-08-26 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 (7 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-20060063766-A1 Use of aryl- and heteroaryl-substituted tetrahydroisoquinolines to block reuptake of norepinephrine, dopamine, and serotonin SLC6A3, SLC6A4, SLC6A2 POLB 2437/4885KMT2A 1904/4885L3MBTL1 2067/4885
US-20060052378-A1 Psychological disorders; analgesics; eating disorders; drug abuse; 4-(8-chloro-naphthalen-2-yl)-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol; 7-(6-methoxy-pyrazin-2yl)-2-methyl-4-(naphthalene-2-yl)-1,2,3,4-tetrahydroisoquinoline; treating amide intermediates with sodium borohydride OPRK1, OPRL1, OPRD1 POLB 4584/4885KMT2A 206/4885L3MBTL1 1731/4885
US-20140107331-A1 PHOTORESPONSIVE NUCLEIC ACID MANUFACTURING METHOD POLRMT, POLL, POLM POLB 15/4885KMT2A 929/4885L3MBTL1 4518/4885
US-20060025460-A1 Compounds and methods for inhibiting the interaction of BCL proteins with binding partners BCL3, BCL2, BCLAF1 POLB 2857/4885KMT2A 2782/4885L3MBTL1 963/4885
US-20150274713-A1 ARYL- AND HETEROARYL-SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN DRD4, SLC6A4, HTR4 POLB 2434/4885KMT2A 1921/4885L3MBTL1 1883/4885
US-20140243524-A1 ARYL- AND HETEROARYL-SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN DRD4, SLC6A4, HTR4 POLB 2434/4885KMT2A 1921/4885L3MBTL1 1883/4885
US-20040171098-A1 Signalling compounds for use in methods of detecting hydrogen peroxide LPO, HAO2, HAO1 POLB 1148/4885KMT2A 4848/4885L3MBTL1 2671/4885

“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.