SCHEMBL5246787

SCHEMBL5246787

Cc1cccc2c1C(c1ccc(F)cc1)N(C)CC2

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.57
GAA P10253 1/20 0.57
MAPT P10636 1/20 0.57
PRCP P42785 1/20 0.47
DRD2 P14416 7/20 0.46
HTR1A P08908 5/20 0.46
CYP2D6 P10635 1/20 0.40
ESR1 P03372 2/20 0.40
ESR2 Q92731 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
HTR7 P34969 1/20 0.39

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
SCHEMBL5283260 0.88 PRCP (0.49) KDM4EGAAMAPTPRCPDRD2
SCHEMBL27571779 0.87 PRCP (0.62) PRCPDRD2HTR1ACYP2D6HTR7
SCHEMBL5249004 0.86 PRCP (0.47) KDM4EGAAMAPTPRCPDRD2
SCHEMBL5297369 0.85 PRCP (0.43) KDM4EGAAMAPTPRCPDRD2
SCHEMBL5298787 0.83 KDM4E (0.59) KDM4EPRCPDRD2HTR1ASMN1; SMN2
SCHEMBL5244031 0.82 DRD2 (0.46) KDM4EGAAMAPTPRCPDRD2
SCHEMBL6256492 0.78 PRCP (0.44) PRCPDRD2HTR1ACYP2D6
SCHEMBL5245455 0.78 PRCP (0.77) KDM4EGAAMAPTPRCPDRD2
SCHEMBL22784853 0.78 PRCP (0.77) KDM4EGAAMAPTPRCPDRD2
SCHEMBL30965968 0.78 PRCP (0.77) KDM4EGAAMAPTPRCPDRD2

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 KDM4E 941/4885GAA 1686/4885MAPT 476/4885
US-20060111396-A1 4-Phenyl substituted tetrahydroisoquinolines and use thereof to block reuptake of norepinephrine, dopamine and serotonin SLC6A2, SLC18A2, SLC6A4 KDM4E 1169/4885GAA 3887/4885MAPT 2392/4885
US-20060111393-A1 4-Phenyl substituted tetrahydroisoquinolines and use thereof to block reuptake of norepinephrine, dopamine and serotonin SLC6A2, SLC18A2, SLC6A4 KDM4E 1169/4885GAA 3887/4885MAPT 2392/4885

“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.