SCHEMBL5247906

SCHEMBL5247906

CN1Cc2cc(F)ccc2C(c2ccc(F)c(F)c2)C1

nearest known ligand 0.78

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 19/20 0.78
SLC6A3 Q01959 19/20 0.78
SLC6A4 P31645 18/20 0.78
CYP2D6 P10635 1/20 0.65

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
SCHEMBL5248722 0.89 SLC6A2 (0.74) SLC6A2SLC6A3SLC6A4CYP2D6
SCHEMBL5247647 0.88 SLC6A4 (0.75) SLC6A2SLC6A3SLC6A4CYP2D6
SCHEMBL5249515 0.88 SLC6A2 (1.00) SLC6A2SLC6A3SLC6A4CYP2D6
SCHEMBL5248146 0.86 SLC6A2 (1.00) SLC6A2SLC6A3SLC6A4CYP2D6
SCHEMBL5294234 0.86 SLC6A4 (0.65) SLC6A2SLC6A3SLC6A4CYP2D6
SCHEMBL5635531 0.84 SLC6A2 (1.00) SLC6A2SLC6A3SLC6A4CYP2D6
SCHEMBL5635210 0.84 SLC6A2 (1.00) SLC6A2SLC6A3SLC6A4CYP2D6
SCHEMBL5246719 0.84 SLC6A2 (1.00) SLC6A2SLC6A3SLC6A4CYP2D6
SCHEMBL5248856 0.84 SLC6A3 (0.71) SLC6A2SLC6A3SLC6A4CYP2D6
SCHEMBL5249197 0.84 SLC6A4 (1.00) SLC6A2SLC6A3SLC6A4

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 12 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
US-7163949-B1 4-phenyl substituted tetrahydroisoquinolines and use thereof AMR TECHNOLOGY, INC. (US) 2007-01-16 US 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 114/4885SLC6A3 314/4885SLC6A4 145/4885
US-20060111396-A1 4-Phenyl substituted tetrahydroisoquinolines and use thereof to block reuptake of norepinephrine, dopamine and serotonin SLC6A2, SLC18A2, SLC6A4 SLC6A2 1/4885SLC6A3 4/4885SLC6A4 3/4885
US-20060111393-A1 4-Phenyl substituted tetrahydroisoquinolines and use thereof to block reuptake of norepinephrine, dopamine and serotonin SLC6A2, SLC18A2, SLC6A4 SLC6A2 1/4885SLC6A3 4/4885SLC6A4 3/4885

“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.