SCHEMBL645889

SCHEMBL645889

N#Cc1cccc2c[c]ccc12

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.50
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
TSHR P16473 1/20 0.34
GAA P10253 2/20 0.33
MAPT P10636 1/20 0.33
PNMT P11086 1/20 0.33
GRM4 Q14833 1/20 0.32
IMPDH2 P12268 1/20 0.32
IMPDH1 P20839 1/20 0.32
LMNA P02545 1/20 0.31
DYRK1A Q13627 2/20 0.31
MCL1 Q07820 2/20 0.31
BCHE P06276 1/20 0.31
ACHE P22303 1/20 0.31
CLK1 P49759 1/20 0.30

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
SCHEMBL643602 0.84 CA1 (0.48) HTTCA1CA2KDM4EALDH1A1
SCHEMBL21858020 0.81 GRM5 (0.46) HTTCA1CA2KDM4EALDH1A1
SCHEMBL5749042 0.80 HTT (0.40) HTTCA1CA2KDM4EALDH1A1
SCHEMBL5748887 0.80 HTT (0.40) HTTCA1CA2KDM4EALDH1A1
SCHEMBL21858062 0.77 CHAT (0.46) HTTCA2KDM4EALDH1A1MAPT
SCHEMBL59702 0.76 CA1 (0.69) HTTCA1CA2KDM4EALDH1A1
SCHEMBL644723 0.75 CA1 (0.47) HTTCA1CA2KDM4EALDH1A1
Hydrochloric Acid SCHEMBL25405344 0.74 CA1 (0.67) HTTCA1CA2KDM4EALDH1A1
Ammonia Solution, Strong SCHEMBL27660602 0.74 CA1 (0.67) HTTCA1CA2KDM4EALDH1A1
SCHEMBL27788199 0.74 CA1 (0.67) HTTCA1CA2KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 claimed
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 claimed
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 claimed
US-20130005965-A1 ARYL- AND HETEROARYL-SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-03 US claimed
US-8236796-B2 Aryl- and heteroaryl-substituted tetrahydroisoquinolines and use thereof to block reuptake of norepinephrine, dopamine, and serotonin ALBANY MOLECULAR RESEARCH, INC. (US) 2012-08-07 US claimed
US-8227486-B2 Aryl- and heteroaryl-substituted tetrahydroisoquinolines and use thereof to block reuptake of norepinephrine, dopamine, and serotonin ALBANY MOLECULAR RESEARCH, INC. (US) 2012-07-24 US claimed
US-20090253906-A1 ARYL- AND HETEROARYL-SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN AMR TECHNOLOGY, INC. (US) 2009-10-08 US claimed
US-7541357-B2 Aryl- and heteroaryl-substituted tetrahydroisoquinolines and use thereof to block reuptake of norepinephrine, dopamine, and serotonin AMR TECHNOLOGY, INC. (US) 2009-06-02 US claimed
US-20090048443-A1 ARYL- AND HETEROARYL-SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN AMR TECHNOLOGY, INC. (US) 2009-02-19 US claimed
EP-1778639-A2 ARYL-AND HETEROARYL-SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN AMR Technology, Inc. (US) 2007-05-02 EP claimed
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 claimed
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 claimed
EP-0351194-B1 Thiazole derivatives having a 5-lipoxygenase-inhibiting activity ICI PLC (GB) 1994-06-15 EP claimed
US-5196422-A Antiinflammatory agents, antiallergens ICI PHARMA (FR) 1993-03-23 US claimed
US-5089513-A Antiinflammatory agents; antiallergens; asthma; side effect reduction ICI PHARMA (FR) 1992-02-18 US claimed
EP-0351194-A2 Thiazole derivatives having a 5-lipoxygenase-inhibiting activity IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-01-17 EP claimed
EP-3749631-B1 TRIARYLMETHANE COMPOUNDS MITSUBISHI GAS CHEMICAL CO (JP) 2024-03-06 EP disclosed
US-5089513-A Antiinflammatory agents; antiallergens; asthma; side effect reduction ICI PHARMA (FR) 1992-02-18 US disclosed
EP-0351194-A2 Thiazole derivatives having a 5-lipoxygenase-inhibiting activity IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-01-17 EP 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 (5 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-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 HTT 492/4885CA1 1450/4885CA2 628/4885
US-20090253906-A1 ARYL- AND HETEROARYL-SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN DRD4, SLC6A4, HTR4 HTT 719/4885CA1 4627/4885CA2 3754/4885
US-20130005965-A1 ARYL- AND HETEROARYL-SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN DRD4, SLC6A4, HTR4 HTT 719/4885CA1 4627/4885CA2 3754/4885
US-20090048443-A1 ARYL- AND HETEROARYL-SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN DRD4, SLC6A2, SLC6A3 HTT 690/4885CA1 4636/4885CA2 3738/4885
US-20140243524-A1 ARYL- AND HETEROARYL-SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN DRD4, SLC6A4, HTR4 HTT 719/4885CA1 4627/4885CA2 3754/4885

“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.