SCHEMBL5249353

SCHEMBL5249353

Cc1cccc(C2CN(C)Cc3cc(O)ccc32)c1

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 14/20 0.69
SLC6A4 P31645 14/20 0.69
SLC6A3 Q01959 14/20 0.69
DRD1 P21728 3/20 0.57
CYP2D6 P10635 1/20 0.56
DRD2 P14416 1/20 0.54
KIF11 P52732 1/20 0.53
KDM4E B2RXH2 1/20 0.53
ADRA2A P08913 1/20 0.53
MAPT P10636 1/20 0.53
MTOR P42345 1/20 0.53
PMP22 Q01453 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
SCHEMBL11639888 0.87 SLC6A2 (0.72) SLC6A2SLC6A4SLC6A3DRD1DRD2
SCHEMBL11802117 0.86 SLC6A4 (0.76) SLC6A2SLC6A4SLC6A3DRD1CYP2D6
Hydrochloric Acid SCHEMBL11640224 0.86 SLC6A2 (0.70) SLC6A2SLC6A4SLC6A3DRD1DRD2
Hydrochloric Acid SCHEMBL11794782 0.85 SLC6A4 (0.74) SLC6A2SLC6A4SLC6A3DRD1CYP2D6
SCHEMBL5244478 0.82 SLC6A4 (1.00) SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL1120128 0.82 SLC6A2 (0.67) SLC6A2SLC6A4SLC6A3DRD1CYP2D6
SCHEMBL1503334 0.82 SLC6A2 (0.67) SLC6A2SLC6A4SLC6A3DRD1CYP2D6
SCHEMBL5244063 0.81 SLC6A4 (1.00) SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL11792294 0.81 SLC6A4 (0.70) SLC6A2SLC6A4SLC6A3DRD1CYP2D6
SCHEMBL11792276 0.81 SLC6A4 (0.75) SLC6A2SLC6A4SLC6A3DRD1CYP2D6

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1827435-A2 4-PHENYL SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE AND SEROTONIN AMR Technology, Inc. (US) 2007-09-05 EP claimed
WO-2006057950-A2 4-PHENYL SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE AND SEROTONIN AMR TECHNOLOGY, INC. (US) 2006-06-01 WO claimed
US-20060111396-A1 4-Phenyl substituted tetrahydroisoquinolines and use thereof to block reuptake of norepinephrine, dopamine and serotonin AMR TECHNOLOGY, INC. (US) 2006-05-25 US claimed
US-20060111393-A1 4-Phenyl substituted tetrahydroisoquinolines and use thereof to block reuptake of norepinephrine, dopamine and serotonin ALBANY MOLECULAR RESEARCH, INC. 2006-05-25 US claimed
US-20040248933-A1 Use of 4-phenyl-substituted tetrahydroisoquinolines in the treatment of pain, migraine headaches and urinary incontinence PHARMACIA & UPJOHN COMPANY 2004-12-09 US claimed
EP-1827435-A2 4-PHENYL SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE AND SEROTONIN AMR Technology, Inc. (US) 2007-09-05 EP disclosed
US-7163949-B1 4-phenyl substituted tetrahydroisoquinolines and use thereof AMR TECHNOLOGY, INC. (US) 2007-01-16 US disclosed
WO-2006057950-A2 4-PHENYL SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE AND SEROTONIN AMR TECHNOLOGY, INC. (US) 2006-06-01 WO disclosed
US-20060111396-A1 4-Phenyl substituted tetrahydroisoquinolines and use thereof to block reuptake of norepinephrine, dopamine and serotonin AMR TECHNOLOGY, INC. (US) 2006-05-25 US disclosed
US-20060111393-A1 4-Phenyl substituted tetrahydroisoquinolines and use thereof to block reuptake of norepinephrine, dopamine and serotonin ALBANY MOLECULAR RESEARCH, INC. 2006-05-25 US disclosed
US-20040248933-A1 Use of 4-phenyl-substituted tetrahydroisoquinolines in the treatment of pain, migraine headaches and urinary incontinence PHARMACIA & UPJOHN COMPANY 2004-12-09 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 (3 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-20040248933-A1 Use of 4-phenyl-substituted tetrahydroisoquinolines in the treatment of pain, migraine headaches and urinary incontinence SDHA, INA, PAH SLC6A2 114/4885SLC6A4 145/4885SLC6A3 314/4885
US-20060111396-A1 4-Phenyl substituted tetrahydroisoquinolines and use thereof to block reuptake of norepinephrine, dopamine and serotonin SLC6A2, SLC18A2, SLC6A4 SLC6A2 1/4885SLC6A4 3/4885SLC6A3 4/4885
US-20060111393-A1 4-Phenyl substituted tetrahydroisoquinolines and use thereof to block reuptake of norepinephrine, dopamine and serotonin SLC6A2, SLC18A2, SLC6A4 SLC6A2 1/4885SLC6A4 3/4885SLC6A3 4/4885

“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.