SCHEMBL5245455

SCHEMBL5245455

CN1CCc2ccccc2C1c1ccc(F)cc1

nearest known ligand 0.77

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PRCP P42785 3/20 0.77
KDM4E B2RXH2 1/20 0.54
GAA P10253 1/20 0.54
MAPT P10636 1/20 0.54
KCNH2 Q12809 6/20 0.50
TRPM8 Q7Z2W7 1/20 0.48
CHRM3 P20309 4/20 0.47
ESR1 P03372 1/20 0.47
ESR2 Q92731 1/20 0.47
DRD2 P14416 1/20 0.47
DRD1 P21728 1/20 0.47

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
SCHEMBL29783569 1.00 PRCP (0.77) PRCPKDM4EGAAMAPTKCNH2
SCHEMBL30965968 1.00 PRCP (0.77) PRCPKDM4EGAAMAPTKCNH2
SCHEMBL22784853 1.00 PRCP (0.77) PRCPKDM4EGAAMAPTKCNH2
SCHEMBL25604565 0.87 PRCP (1.00) PRCPDRD2DRD1
SCHEMBL13928812 0.87 PRCP (1.00) PRCPDRD2DRD1
SCHEMBL8415128 0.87 PRCP (1.00) PRCPDRD2DRD1
SCHEMBL7584352 0.86 PRCP (0.69) PRCPDRD2DRD1
Iodide SCHEMBL27518895 0.85 PRCP (0.97) PRCPDRD2DRD1
SCHEMBL5244522 0.84 PRCP (0.77) PRCPCHRM3DRD2DRD1
SCHEMBL29783566 0.84 PRCP (0.77) PRCPCHRM3DRD2DRD1

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
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
CN-114516835-B Synthesis method of alpha, alpha-disubstituted tetrahydroisoquinoline compound 西安石油大学 2023-08-15 CN disclosed
CN-114516835-A Synthetic method of alpha, alpha-disubstituted tetrahydroisoquinoline compounds 西安石油大学 2022-05-20 CN disclosed
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
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 PRCP 3099/4885KDM4E 941/4885GAA 1686/4885
US-20060111396-A1 4-Phenyl substituted tetrahydroisoquinolines and use thereof to block reuptake of norepinephrine, dopamine and serotonin SLC6A2, SLC18A2, SLC6A4 PRCP 2757/4885KDM4E 1169/4885GAA 3887/4885
US-20060111393-A1 4-Phenyl substituted tetrahydroisoquinolines and use thereof to block reuptake of norepinephrine, dopamine and serotonin SLC6A2, SLC18A2, SLC6A4 PRCP 2757/4885KDM4E 1169/4885GAA 3887/4885

“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.