SCHEMBL5244909

SCHEMBL5244909

COc1cccc2c1C(c1ccc(C)cc1)N(C)CC2

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.50
HTR1A P08908 6/20 0.48
KDM4E B2RXH2 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PRCP P42785 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
CYP2D6 P10635 1/20 0.43

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
SCHEMBL5245384 0.88 DRD2 (0.49) DRD2HTR1AKDM4ESMN1; SMN2PRCP
SCHEMBL5283260 0.83 PRCP (0.49) DRD2HTR1AKDM4ESMN1; SMN2PRCP
SCHEMBL5298787 0.78 KDM4E (0.59) DRD2HTR1AKDM4ESMN1; SMN2PRCP
SCHEMBL5246787 0.75 KDM4E (0.57) DRD2HTR1AKDM4ESMN1; SMN2PRCP
SCHEMBL28742343 0.73 CA1 (0.68) DRD2KDM4ESMN1; SMN2PRCPCA1
SCHEMBL27571779 0.73 PRCP (0.62) DRD2HTR1APRCPCYP2D6
SCHEMBL5249004 0.72 PRCP (0.47) DRD2HTR1AKDM4ESMN1; SMN2PRCP
SCHEMBL5244479 0.70 CA1 (0.55) DRD2KDM4ESMN1; SMN2PRCPCA1
SCHEMBL12311999 0.70 DRD2 (0.61) DRD2PRCP
Bromide SCHEMBL11104482 0.69 DRD2 (0.50) DRD2SMN1; SMN2

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 DRD2 1305/4885HTR1A 273/4885KDM4E 941/4885
US-20060111396-A1 4-Phenyl substituted tetrahydroisoquinolines and use thereof to block reuptake of norepinephrine, dopamine and serotonin SLC6A2, SLC18A2, SLC6A4 DRD2 11/4885HTR1A 17/4885KDM4E 1169/4885
US-20060111393-A1 4-Phenyl substituted tetrahydroisoquinolines and use thereof to block reuptake of norepinephrine, dopamine and serotonin SLC6A2, SLC18A2, SLC6A4 DRD2 11/4885HTR1A 17/4885KDM4E 1169/4885

“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.