SCHEMBL4469073

SCHEMBL4469073

COc1ccc(-c2ccc3c(c2)CN(C)CC3c2ccccc2)cn1

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 18/20 0.65
SLC6A2 P23975 14/20 0.65
SLC6A3 Q01959 14/20 0.65
HRH3 Q9Y5N1 4/20 0.52
DRD2 P14416 1/20 0.46
DRD1 P21728 1/20 0.46

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
SCHEMBL4723188 0.83 SLC6A4 (0.66) SLC6A4SLC6A2SLC6A3HRH3
SCHEMBL4457606 0.82 SLC6A4 (0.81) SLC6A4SLC6A2SLC6A3HRH3
SCHEMBL4466906 0.82 SLC6A2 (0.72) SLC6A4SLC6A2SLC6A3DRD2DRD1
SCHEMBL4463258 0.81 SLC6A4 (0.79) SLC6A4SLC6A2SLC6A3HRH3DRD2
SCHEMBL4466925 0.81 SLC6A2 (0.60) SLC6A4SLC6A2SLC6A3DRD2DRD1
SCHEMBL4465232 0.80 SLC6A4 (0.66) SLC6A4SLC6A2SLC6A3HRH3DRD2
SCHEMBL4465230 0.79 SLC6A4 (0.67) SLC6A4SLC6A2SLC6A3HRH3DRD2
SCHEMBL4465320 0.79 SLC6A2 (0.64) SLC6A4SLC6A2SLC6A3DRD2DRD1
SCHEMBL4457593 0.78 SLC6A4 (0.60) SLC6A4SLC6A2SLC6A3HRH3DRD2
SCHEMBL4469070 0.77 SLC6A2 (0.67) SLC6A4SLC6A2SLC6A3DRD2DRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1246806-B1 ARLY- AND HETEROARYL-SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE AND SEROTONIN AMR TECHNOLOGY INC (US) 2008-02-27 EP claimed
EP-1819337-A2 ARYL-AND HETEROARYL-SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE AND SEROTONIN AMR Technology, Inc. (US) 2007-08-22 EP claimed
WO-2006058016-A2 ARYL-AND HETEROARYL-SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE AND SEROTONIN AMR TECHNOLOGY, INC. (US) 2006-06-01 WO claimed
US-20060111395-A1 Aryl-and heteroaryl-substituted tetrahydroisoquinolines and use thereof to block reuptake of norepinephrine, dopamine and serotonin AMR TECHNOLOGY, INC. (US) 2006-05-25 US claimed
US-20060111394-A1 Aryl-and heteroaryl-substituted tetrahydroisoquinolines and use thereof to block reuptake of norepinephrine, dopamine and serotonin ALBANY MOLECULAR RESEARCH, INC. 2006-05-25 US claimed
US-20040248932-A1 Use of aryl- and heteroaryl-substituted tetrahydroisoquinolines in the treatment of chronic and neuropathic pain, migraine headaches, and urge, stress and mixed urinary incontinence PHARMACIA & UPJOHN COMPANY 2004-12-09 US claimed
US-6579885-B2 For therapy of attention deficit disorder, hyperactivity disorder, anxiety, depression, post-traumatic stress disorder, supranuclear palsy, eating disorders, obsessive compulsive disorder, analgesia, nicotine addiction, Parkinsonism ALBANY MOLECULAR RESEARCH, INC. 2003-06-17 US claimed
EP-1246806-A1 ARLY- AND HETEROARYL-SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE AND SEROTONIN ALBANY MOLECULAR RESEARCH, INC. (US) 2002-10-09 EP claimed
US-20020143014-A1 Aryl and heteroaryl substituted tetrahydroisoquinolines and use thereof BARCLAYS BANK PLC, AS THE COLLATERAL AGENT 2002-10-03 US claimed
WO-2001032625-A1 ARYL- AND HETEROARYL-SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE AND SEROTONIN DU PONT PHARMACEUTICALS COMPANY (US) 2001-05-10 WO claimed
US-7612090-B2 Aryl and heteroaryl substituted tetrahydroisoquinolines and use thereof ALBANY MOLECULAR RESEARCH, INC. (US) 2009-11-03 US disclosed
EP-1246806-B1 ARLY- AND HETEROARYL-SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE AND SEROTONIN AMR TECHNOLOGY INC (US) 2008-02-27 EP disclosed
US-7265116-B2 Aryl and heteroaryl substituted tetrahydroisoquinolines and use thereof ARM TECHNOLOGY, INC. (US) 2007-09-04 US disclosed
EP-1819337-A2 ARYL-AND HETEROARYL-SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE AND SEROTONIN AMR Technology, Inc. (US) 2007-08-22 EP disclosed
WO-2006058016-A2 ARYL-AND HETEROARYL-SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE AND SEROTONIN AMR TECHNOLOGY, INC. (US) 2006-06-01 WO disclosed
EP-1246806-A1 ARLY- AND HETEROARYL-SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE AND SEROTONIN ALBANY MOLECULAR RESEARCH, INC. (US) 2002-10-09 EP disclosed
US-20020143014-A1 Aryl and heteroaryl substituted tetrahydroisoquinolines and use thereof BARCLAYS BANK PLC, AS THE COLLATERAL AGENT 2002-10-03 US disclosed
EP-1218390-A2 CHROMOGENIC SUBSTRATES OF SIALIDASE OF BACTERIAL, VIRAL, PROTOZOA, AND VERTEBRATE ORIGIN AND METHODS OF MAKING AND USING THE SAME Ibbex, Inc. (US) 2002-07-03 EP disclosed
WO-2001032625-A1 ARYL- AND HETEROARYL-SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE AND SEROTONIN DU PONT PHARMACEUTICALS COMPANY (US) 2001-05-10 WO disclosed
WO-2001025246-A2 CHROMOGENIC SUBSTRATES OF SIALIDASE OF BACTERIAL, VIRAL, PROTOZOA, AND VERTEBRATE ORIGIN AND METHODS OF MAKING AND USING THE SAME IBBEX, INC. (US) 2001-04-12 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 (4 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-20040248932-A1 Use of aryl- and heteroaryl-substituted tetrahydroisoquinolines in the treatment of chronic and neuropathic pain, migraine headaches, and urge, stress and mixed urinary incontinence OPRL1, CNR2, HTR2C SLC6A4 139/4885SLC6A2 64/4885SLC6A3 189/4885
US-20060111394-A1 Aryl-and heteroaryl-substituted tetrahydroisoquinolines and use thereof to block reuptake of norepinephrine, dopamine and serotonin SLC6A2, ADRA1B, TPH1 SLC6A4 19/4885SLC6A2 1/4885SLC6A3 8/4885
US-20060111395-A1 Aryl-and heteroaryl-substituted tetrahydroisoquinolines and use thereof to block reuptake of norepinephrine, dopamine and serotonin SLC6A2, TPH1, ADRA1B SLC6A4 17/4885SLC6A2 1/4885SLC6A3 6/4885
US-20020143014-A1 Aryl and heteroaryl substituted tetrahydroisoquinolines and use thereof TPH1, TPH2, HTR1A SLC6A4 27/4885SLC6A2 12/4885SLC6A3 22/4885

“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.