SCHEMBL1034801

SCHEMBL1034801

COc1ccc(C2CN(C)Cc3cc(OCCCN4CCCC4C)ccc32)cc1

nearest known ligand 0.75

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 20/20 0.75
HRH3 Q9Y5N1 20/20 0.75
SLC6A2 P23975 1/20 0.75
SLC6A3 Q01959 1/20 0.75

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
SCHEMBL12956352 1.00 SLC6A4 (0.75) SLC6A4HRH3SLC6A2SLC6A3
SCHEMBL1033542 0.88 SLC6A4 (0.71) SLC6A4HRH3SLC6A2SLC6A3
SCHEMBL1036035 0.87 SLC6A4 (0.72) SLC6A4HRH3SLC6A2SLC6A3
SCHEMBL1037258 0.86 SLC6A4 (0.73) SLC6A4HRH3SLC6A2SLC6A3
SCHEMBL1033897 0.86 SLC6A4 (1.00) SLC6A4HRH3SLC6A2SLC6A3
SCHEMBL1034354 0.85 SLC6A4 (0.70) SLC6A4HRH3SLC6A2SLC6A3
SCHEMBL1037144 0.85 SLC6A4 (1.00) SLC6A4HRH3
SCHEMBL1034171 0.84 SLC6A4 (1.00) SLC6A4HRH3
SCHEMBL1033191 0.84 SLC6A4 (0.90) SLC6A4HRH3
SCHEMBL1036085 0.84 SLC6A4 (0.68) SLC6A4HRH3SLC6A2SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1831173-B1 TETRAHYDROISOQUINOLINE COMPOUNDS FOR TREATMENT OF CNS DISORDERS JANSSEN PHARMACEUTICA NV (BE) 2011-01-26 EP claimed
EP-1831173-A1 TETRAHYDROISOQUINOLINE COMPOUNDS FOR TREATMENT OF CNS DISORDERS JANSSEN PHARMACEUTICA N.V. (BE) 2007-09-12 EP claimed
US-20060194837-A1 Tetrahydroisoquinoline compounds JANSSEN PHARMACEUTICA N.V. (BE) 2006-08-31 US claimed
WO-2006066197-A1 TETRAHYDROISOQUINOLINE COMPOUNDS FOR TREATMENT OF CNS DISORDERS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-06-22 WO claimed
US-20150011759-A1 PROCESSES FOR PREPARING (R)-2-METHYLPYRROLIDINE AND (S)-2-METHYLPYRROLIDINE AND TARTRATE SALTS THEREOF CEPHALON, INC. (US) 2015-01-08 US disclosed
EP-1831173-B1 TETRAHYDROISOQUINOLINE COMPOUNDS FOR TREATMENT OF CNS DISORDERS JANSSEN PHARMACEUTICA NV (BE) 2011-01-26 EP disclosed
US-20100121055-A1 PROCESSES FOR PREPARING (R)-2-METHYLPYRROLIDINE AND (S)-2-METHYLPYRROLIDINE AND TARTRATE SALTS THEREOF CEPHALON, INC. (US) 2010-05-13 US disclosed
EP-1831173-A1 TETRAHYDROISOQUINOLINE COMPOUNDS FOR TREATMENT OF CNS DISORDERS JANSSEN PHARMACEUTICA N.V. (BE) 2007-09-12 EP 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 (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-20150011759-A1 PROCESSES FOR PREPARING (R)-2-METHYLPYRROLIDINE AND (S)-2-METHYLPYRROLIDINE AND TARTRATE SALTS THEREOF TPMT, SPR, QDPR SLC6A4 1769/4885HRH3 1100/4885SLC6A2 1132/4885
US-20060194837-A1 Tetrahydroisoquinoline compounds HRH3, HRH4, HRH1 SLC6A4 10/4885HRH3 1/4885SLC6A2 23/4885
US-20100121055-A1 PROCESSES FOR PREPARING (R)-2-METHYLPYRROLIDINE AND (S)-2-METHYLPYRROLIDINE AND TARTRATE SALTS THEREOF TPMT, SPR, QDPR SLC6A4 1769/4885HRH3 1100/4885SLC6A2 1132/4885

“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.