SCHEMBL4467338

SCHEMBL4467338

Cc1ccc(C2c3cc(-c4cncnc4)ccc3CCN2C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRCP P42785 1/20 0.44
DRD2 P14416 5/20 0.39
DRD1 P21728 3/20 0.39
HTR1B P28222 1/20 0.37
HTR6 P50406 1/20 0.37
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
CA14 Q9ULX7 2/20 0.36
OPRM1 P35372 1/20 0.34
OPRK1 P41145 1/20 0.34
CHRNB1 P11230 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNB3 Q05901 1/20 0.34
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
CYP11B1 P15538 1/20 0.33

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
SCHEMBL5249514 0.81 PRCP (0.55) PRCPDRD2DRD1CA1CA2
SCHEMBL8023234 0.79 MAOA (0.48) PRCPDRD2HTR1BHTR6CHRNB1
SCHEMBL5249358 0.77 DRD1 (0.50) PRCPDRD2DRD1SLC6A2SLC6A4
SCHEMBL5244479 0.74 CA1 (0.55) PRCPDRD2DRD1CA1CA2
SCHEMBL5244066 0.74 DRD1 (0.50) PRCPDRD2DRD1CA1CA2
SCHEMBL5246879 0.74 PRCP (0.50) PRCPDRD2DRD1CA1CA2
SCHEMBL7596672 0.73 PRCP (0.69) PRCPDRD2DRD1SLC6A2SLC6A4
SCHEMBL5244484 0.72 SMN1; SMN2 (0.52) PRCPDRD2DRD1CA1CA2
SCHEMBL8027330 0.71 MAOA (0.48) DRD2HTR1BHTR6SLC6A2SLC6A4
SCHEMBL19453885 0.69 ESR1 (0.55) PRCPDRD2DRD1

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 24 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
US-20030203920-A1 Aryl and heteroaryl substituted tetrahydroisoquinolines and use thereof APOLLO ADMINISTRATIVE AGENCY LLC, AS SUCCESSOR AGENT 2003-10-30 US disclosed
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 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
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

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-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 PRCP 2918/4885DRD2 1013/4885DRD1 1590/4885
US-20060111394-A1 Aryl-and heteroaryl-substituted tetrahydroisoquinolines and use thereof to block reuptake of norepinephrine, dopamine and serotonin SLC6A2, ADRA1B, TPH1 PRCP 1926/4885DRD2 31/4885DRD1 55/4885
US-20060111395-A1 Aryl-and heteroaryl-substituted tetrahydroisoquinolines and use thereof to block reuptake of norepinephrine, dopamine and serotonin SLC6A2, TPH1, ADRA1B PRCP 2029/4885DRD2 31/4885DRD1 52/4885
US-20030203920-A1 Aryl and heteroaryl substituted tetrahydroisoquinolines and use thereof TPH1, TPH2, HTR1A PRCP 2125/4885DRD2 24/4885DRD1 33/4885
US-20020143014-A1 Aryl and heteroaryl substituted tetrahydroisoquinolines and use thereof TPH1, TPH2, HTR1A PRCP 2125/4885DRD2 24/4885DRD1 33/4885

“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.