SCHEMBL5249358

SCHEMBL5249358

Cc1ccc(C2c3cc(O)ccc3CCN2C)cc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 5/20 0.50
DRD2 P14416 2/20 0.50
PRCP P42785 1/20 0.50
HTR2A P28223 1/20 0.48
ESR1 P03372 2/20 0.44
ESR2 Q92731 2/20 0.44
CYP2D6 P10635 1/20 0.43
TSHR P16473 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
KIF11 P52732 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
SCHEMBL19453885 0.89 ESR1 (0.55) DRD1DRD2PRCPESR1ESR2
SCHEMBL5249514 0.88 PRCP (0.55) DRD1DRD2PRCPCYP2D6SLC6A2
SCHEMBL5244479 0.81 CA1 (0.55) DRD1DRD2PRCP
SCHEMBL5244066 0.80 DRD1 (0.50) DRD1DRD2PRCPSLC6A2SLC6A4
SCHEMBL5246879 0.80 PRCP (0.50) DRD1DRD2PRCPESR1ESR2
SCHEMBL7596672 0.79 PRCP (0.69) DRD1DRD2PRCPHTR2ASLC6A2
SCHEMBL5244484 0.78 SMN1; SMN2 (0.52) DRD1DRD2PRCP
SCHEMBL29670223 0.77 DRD2 (0.56) DRD1DRD2PRCPESR1ESR2
SCHEMBL28742341 0.77 DRD2 (0.56) DRD1DRD2PRCPESR1ESR2
SCHEMBL4467338 0.77 PRCP (0.44) DRD1DRD2PRCPSLC6A2SLC6A4

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 DRD1 1685/4885DRD2 1305/4885PRCP 3099/4885
US-20060111396-A1 4-Phenyl substituted tetrahydroisoquinolines and use thereof to block reuptake of norepinephrine, dopamine and serotonin SLC6A2, SLC18A2, SLC6A4 DRD1 21/4885DRD2 11/4885PRCP 2757/4885
US-20060111393-A1 4-Phenyl substituted tetrahydroisoquinolines and use thereof to block reuptake of norepinephrine, dopamine and serotonin SLC6A2, SLC18A2, SLC6A4 DRD1 21/4885DRD2 11/4885PRCP 2757/4885

“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.