SCHEMBL5249502

SCHEMBL5249502

CN1Cc2ccccc2[C@H](c2ccc(Cl)c(F)c2)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 20/20 1.00
SLC6A4 P31645 20/20 1.00
SLC6A3 Q01959 20/20 1.00
CYP2D6 P10635 1/20 0.59

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
SCHEMBL5422136 1.00 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL5244660 1.00 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL5244606 0.90 SLC6A2 (0.81) SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL5246719 0.88 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL4032877 0.88 SLC6A2 (0.78) SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL5635210 0.88 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL5635531 0.88 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL5247647 0.86 SLC6A4 (0.75) SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL5248540 0.85 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL5247954 0.85 SLC6A4 (0.79) SLC6A2SLC6A4SLC6A3CYP2D6

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 5 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 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-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.