SCHEMBL1033461

SCHEMBL1033461

COc1ccc(C2CN(C)Cc3cc(OC4CCN(C(C)C)CC4)ccc32)cc1

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 19/20 0.67
HRH3 Q9Y5N1 16/20 0.67
SLC6A2 P23975 3/20 0.58
SLC6A3 Q01959 3/20 0.58

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
SCHEMBL1035101 0.91 SLC6A4 (0.61) SLC6A4HRH3SLC6A2SLC6A3
SCHEMBL1037254 0.89 SLC6A4 (0.58) SLC6A4HRH3SLC6A2SLC6A3
SCHEMBL1033959 0.88 SLC6A4 (0.58) SLC6A4HRH3SLC6A2SLC6A3
SCHEMBL1037669 0.87 SLC6A4 (0.54) SLC6A4HRH3SLC6A2SLC6A3
SCHEMBL1035921 0.85 SLC6A4 (0.77) SLC6A4HRH3
SCHEMBL1032846 0.84 SLC6A4 (0.62) SLC6A4HRH3SLC6A2SLC6A3
SCHEMBL1037221 0.84 SLC6A4 (0.67) SLC6A4HRH3SLC6A2SLC6A3
SCHEMBL1035910 0.82 SLC6A4 (0.60) SLC6A4HRH3SLC6A2SLC6A3
SCHEMBL1036278 0.82 SLC6A4 (0.69) SLC6A4HRH3SLC6A2SLC6A3
SCHEMBL12677890 0.82 HRH3 (0.58) SLC6A4HRH3

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120321559-A1 HEXAHYDRO-PYRROLO-ISOQUINOLINE COMPOUNDS APODACA RICHARD (US) 2012-12-20 US claimed
EP-1831173-B1 TETRAHYDROISOQUINOLINE COMPOUNDS FOR TREATMENT OF CNS DISORDERS JANSSEN PHARMACEUTICA NV (BE) 2011-01-26 EP claimed
EP-1893613-A1 HEXAHYDRO-PYRROLO-ISOQUINOLINE COMPOUNDS FOR THE TREATMENT OF CNS DISORDERS JANSSEN PHARMACEUTICA N.V. (BE) 2008-03-05 EP claimed
WO-2006138604-A1 HEXAHYDRO-PYRROLO-ISOQUINOLINE COMPOUNDS FOR THE TREATMENT OF CNS DISORDERS JANSSEN PHARMACEUTICA N.V. (BE) 2006-12-28 WO claimed
US-20060293316-A1 HEXAHYDRO-PYRROLO-ISOQUINOLINE COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2006-12-28 US claimed
US-20060194837-A1 Tetrahydroisoquinoline compounds JANSSEN PHARMACEUTICA N.V. (BE) 2006-08-31 US claimed
US-20120321559-A1 HEXAHYDRO-PYRROLO-ISOQUINOLINE COMPOUNDS APODACA RICHARD (US) 2012-12-20 US disclosed
US-8273762-B2 Hexahydro-pyrrolo-isoquinoline compounds JANSSEN PHARMACEUTICA NV (BE) 2012-09-25 US disclosed
EP-1831173-B1 TETRAHYDROISOQUINOLINE COMPOUNDS FOR TREATMENT OF CNS DISORDERS JANSSEN PHARMACEUTICA NV (BE) 2011-01-26 EP disclosed
EP-1831173-B1 TETRAHYDROISOQUINOLINE COMPOUNDS FOR TREATMENT OF CNS DISORDERS JANSSEN PHARMACEUTICA NV (BE) 2011-01-26 EP disclosed
US-20100240648-A1 HEXAHYDRO-PYRROLO-ISOQUINOLINE COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2010-09-23 US disclosed
US-7754882-B2 Hexahydro-pyrrolo-isoquinoline compounds JANSSEN PHARMACEUTICA NV (BE) 2010-07-13 US disclosed
EP-1893613-A1 HEXAHYDRO-PYRROLO-ISOQUINOLINE COMPOUNDS FOR THE TREATMENT OF CNS DISORDERS JANSSEN PHARMACEUTICA N.V. (BE) 2008-03-05 EP disclosed
EP-1831173-A1 TETRAHYDROISOQUINOLINE COMPOUNDS FOR TREATMENT OF CNS DISORDERS JANSSEN PHARMACEUTICA N.V. (BE) 2007-09-12 EP disclosed
WO-2006138604-A1 HEXAHYDRO-PYRROLO-ISOQUINOLINE COMPOUNDS FOR THE TREATMENT OF CNS DISORDERS JANSSEN PHARMACEUTICA N.V. (BE) 2006-12-28 WO disclosed
US-20060293316-A1 HEXAHYDRO-PYRROLO-ISOQUINOLINE COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2006-12-28 US disclosed
US-20060194837-A1 Tetrahydroisoquinoline compounds JANSSEN PHARMACEUTICA N.V. (BE) 2006-08-31 US disclosed
WO-2006066197-A1 TETRAHYDROISOQUINOLINE COMPOUNDS FOR TREATMENT OF CNS DISORDERS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-06-22 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 (4 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-20060293316-A1 HEXAHYDRO-PYRROLO-ISOQUINOLINE COMPOUNDS HRH3, HRH1, HRH4 SLC6A4 15/4885HRH3 1/4885SLC6A2 29/4885
US-20100240648-A1 HEXAHYDRO-PYRROLO-ISOQUINOLINE COMPOUNDS HRH3, HRH1, HRH4 SLC6A4 15/4885HRH3 1/4885SLC6A2 29/4885
US-20060194837-A1 Tetrahydroisoquinoline compounds HRH3, HRH4, HRH1 SLC6A4 10/4885HRH3 1/4885SLC6A2 23/4885
US-20120321559-A1 HEXAHYDRO-PYRROLO-ISOQUINOLINE COMPOUNDS HRH3, HRH1, HRH4 SLC6A4 15/4885HRH3 1/4885SLC6A2 29/4885

“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.