SCHEMBL4033945

SCHEMBL4033945

CN1Cc2cc(Cl)c(Cl)cc2C(c2ccccc2)C1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 6/20 0.80
DRD2 P14416 3/20 0.80
SLC6A2 P23975 12/20 0.65
SLC6A4 P31645 12/20 0.65
SLC6A3 Q01959 12/20 0.65
DRD5 P21918 2/20 0.60
CYP1A2 P05177 2/20 0.60
CYP2D6 P10635 2/20 0.60
TSHR P16473 2/20 0.60
HSD17B10 Q99714 2/20 0.60
CYP3A4 P08684 1/20 0.60
NFKB1 P19838 1/20 0.60
THPO P40225 1/20 0.60
MEN1 O00255 1/20 0.60
ALOX15 P16050 1/20 0.60
KMT2A Q03164 1/20 0.60
SIGMAR1 Q99720 1/20 0.60
LMNA P02545 1/20 0.59
ADRB2 P07550 1/20 0.59
GPR183 P32249 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
SCHEMBL10744149 0.85 DRD1 (0.81) DRD1DRD2DRD5CYP1A2CYP2D6
SCHEMBL4031452 0.84 SLC6A2 (0.72) DRD1DRD2SLC6A2SLC6A4SLC6A3
SCHEMBL4029581 0.84 SLC6A2 (0.72) DRD1DRD2SLC6A2SLC6A4SLC6A3
SCHEMBL11639888 0.81 SLC6A2 (0.72) DRD1DRD2SLC6A2SLC6A4SLC6A3
SCHEMBL4458855 0.80 SLC6A2 (0.62) DRD1DRD2SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL11640224 0.79 SLC6A2 (0.70) DRD1DRD2SLC6A2SLC6A4SLC6A3
SCHEMBL4469070 0.79 SLC6A2 (0.67) DRD1DRD2SLC6A2SLC6A4SLC6A3
SCHEMBL4032379 0.79 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3CYP1A2CYP2D6
SCHEMBL5246721 0.79 SLC6A2 (1.00) DRD1DRD2SLC6A2SLC6A4SLC6A3
SCHEMBL4031314 0.79 SLC6A2 (1.00) DRD1DRD2SLC6A2SLC6A4SLC6A3

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
US-6911453-B2 Substituted 4-phenyltetrahydroisoquinolinium, process for their preparation, their use as a medicament, and medicament containing them AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-06-28 US claimed
EP-1453810-A1 SUBSTITUTED 4-PHENYLTETRAHYDROISOQUINOLINES, METHOD FOR THE PRODUCTION THEREOF, THE USE THEREOF AS MEDICAMENTS, IN ADDITION TO A MEDICAMENT CONTAINING SAME Aventis Pharma Deutschland GmbH (DE) 2004-09-08 EP claimed
US-20040044211-A1 Substituted 4-phenyltetrahydroisoquinolinium, process for their preparation, their use as a medicament, and medicament containing them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2004-03-04 US claimed
WO-2003048129-A1 SUBSTITUTED 4-PHENYLTETRAHYDROISOQUINOLINES, METHOD FOR THE PRODUCTION THEREOF, THE USE THEREOF AS MEDICAMENTS, IN ADDITION TO A MEDICAMENT CONTAINING SAME AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-06-12 WO claimed
EP-1453810-B1 SUBSTITUTED 4-PHENYLTETRAHYDROISOQUINOLINES, METHOD FOR THE PRODUCTION THEREOF, THE USE THEREOF AS MEDICAMENTS, IN ADDITION TO A MEDICAMENT CONTAINING SAME SANOFI AVENTIS DEUTSCHLAND (DE) 2009-03-18 EP disclosed
EP-1453810-B1 SUBSTITUTED 4-PHENYLTETRAHYDROISOQUINOLINES, METHOD FOR THE PRODUCTION THEREOF, THE USE THEREOF AS MEDICAMENTS, IN ADDITION TO A MEDICAMENT CONTAINING SAME SANOFI AVENTIS DEUTSCHLAND (DE) 2009-03-18 EP disclosed
US-6911453-B2 Substituted 4-phenyltetrahydroisoquinolinium, process for their preparation, their use as a medicament, and medicament containing them AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-06-28 US disclosed
US-20050009864-A1 Substituted 4-phenyltetrahydroisoquinolinium, process for their preparation, their use as a medicament, and medicament containing them AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-01-13 US disclosed
EP-1453810-A1 SUBSTITUTED 4-PHENYLTETRAHYDROISOQUINOLINES, METHOD FOR THE PRODUCTION THEREOF, THE USE THEREOF AS MEDICAMENTS, IN ADDITION TO A MEDICAMENT CONTAINING SAME Aventis Pharma Deutschland GmbH (DE) 2004-09-08 EP disclosed
US-20040044211-A1 Substituted 4-phenyltetrahydroisoquinolinium, process for their preparation, their use as a medicament, and medicament containing them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2004-03-04 US disclosed
WO-2003048129-A1 SUBSTITUTED 4-PHENYLTETRAHYDROISOQUINOLINES, METHOD FOR THE PRODUCTION THEREOF, THE USE THEREOF AS MEDICAMENTS, IN ADDITION TO A MEDICAMENT CONTAINING SAME AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-06-12 WO 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-20050009864-A1 Substituted 4-phenyltetrahydroisoquinolinium, process for their preparation, their use as a medicament, and medicament containing them ABCB11, SLC10A1, PON1 DRD1 2289/4885DRD2 1797/4885SLC6A2 16/4885
US-20040044211-A1 Substituted 4-phenyltetrahydroisoquinolinium, process for their preparation, their use as a medicament, and medicament containing them ABCB11, SLC10A1, PON1 DRD1 1933/4885DRD2 1590/4885SLC6A2 18/4885

“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.