SCHEMBL980783

SCHEMBL980783

CN1Cc2c(Cl)cc(Cl)cc2[C@H](c2ccccc2N2CCCC2=O)C1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC9A3 P48764 12/20 0.48
DRD2 P14416 1/20 0.42
DRD1 P21728 1/20 0.42
DRD4 P21917 1/20 0.42
DRD5 P21918 1/20 0.42
ACLY P53396 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 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
SCHEMBL980784 1.00 SLC9A3 (0.48) SLC9A3DRD2DRD1DRD4DRD5
Hydrochloric Acid SCHEMBL978211 0.99 SLC9A3 (0.48) SLC9A3DRD2DRD1DRD4DRD5
Hydrochloric Acid SCHEMBL978210 0.99 SLC9A3 (0.48) SLC9A3DRD2DRD1DRD4DRD5
SCHEMBL978341 0.92 SLC9A3 (0.42) SLC9A3DRD2DRD1DRD4DRD5
Trifluoroacetic Acid SCHEMBL978232 0.92 SLC9A3 (0.43) SLC9A3DRD2DRD1DRD4DRD5
SCHEMBL979070 0.87 SLC9A3 (0.50) SLC9A3
SCHEMBL979067 0.87 SLC9A3 (0.50) SLC9A3
SCHEMBL978113 0.87 DRD2 (0.38) SLC9A3DRD2DRD1DRD4DRD5
SCHEMBL978114 0.87 DRD2 (0.38) SLC9A3DRD2DRD1DRD4DRD5
SCHEMBL979783 0.84 SLC9A3 (0.52) SLC9A3SLC6A2SLC6A4SLC6A3

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-1838315-B1 SUBSTITUTED 4-PHENYLTETRAHYDROISOQUINOLINES, METHODS FOR PRODUCING THEM, THEIR USE AS DRUG, AND DRUG CONTAINING THEM SANOFI SA (FR) 2014-03-12 EP claimed
US-7868003-B2 Substituted 4-phenyltetrahydroisoquinolines, pharmaceutical compositions comprising them and therapeutic methods for their use SANOFI-AVENTIS (FR) 2011-01-11 US claimed
US-20080058328-A1 SUBSTITUTED 4-PHENYLTETRAHYDROISOQUINOLINES, PHARMACEUITCAL COMPOSITIONS COMPRISING THEM AND THERAPEUTIC METHODS FOR THEIR USE SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-03-06 US claimed
EP-1838315-B1 SUBSTITUTED 4-PHENYLTETRAHYDROISOQUINOLINES, METHODS FOR PRODUCING THEM, THEIR USE AS DRUG, AND DRUG CONTAINING THEM SANOFI SA (FR) 2014-03-12 EP disclosed
EP-1838315-B1 SUBSTITUTED 4-PHENYLTETRAHYDROISOQUINOLINES, METHODS FOR PRODUCING THEM, THEIR USE AS DRUG, AND DRUG CONTAINING THEM SANOFI SA (FR) 2014-03-12 EP disclosed
US-7868003-B2 Substituted 4-phenyltetrahydroisoquinolines, pharmaceutical compositions comprising them and therapeutic methods for their use SANOFI-AVENTIS (FR) 2011-01-11 US disclosed
US-7868003-B2 Substituted 4-phenyltetrahydroisoquinolines, pharmaceutical compositions comprising them and therapeutic methods for their use SANOFI-AVENTIS (FR) 2011-01-11 US disclosed
US-7868003-B2 Substituted 4-phenyltetrahydroisoquinolines, pharmaceutical compositions comprising them and therapeutic methods for their use SANOFI-AVENTIS (FR) 2011-01-11 US disclosed
US-20080058328-A1 SUBSTITUTED 4-PHENYLTETRAHYDROISOQUINOLINES, PHARMACEUITCAL COMPOSITIONS COMPRISING THEM AND THERAPEUTIC METHODS FOR THEIR USE SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-03-06 US disclosed
US-20080058328-A1 SUBSTITUTED 4-PHENYLTETRAHYDROISOQUINOLINES, PHARMACEUITCAL COMPOSITIONS COMPRISING THEM AND THERAPEUTIC METHODS FOR THEIR USE SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-03-06 US disclosed
US-20080058328-A1 SUBSTITUTED 4-PHENYLTETRAHYDROISOQUINOLINES, PHARMACEUITCAL COMPOSITIONS COMPRISING THEM AND THERAPEUTIC METHODS FOR THEIR USE SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-03-06 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 (1 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-20080058328-A1 SUBSTITUTED 4-PHENYLTETRAHYDROISOQUINOLINES, PHARMACEUITCAL COMPOSITIONS COMPRISING THEM AND THERAPEUTIC METHODS FOR THEIR USE REN, MTNR1B, MTNR1A SLC9A3 2159/4885DRD2 463/4885DRD1 481/4885

“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.