SCHEMBL1033895

SCHEMBL1033895

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

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 19/20 0.68
SLC6A2 P23975 7/20 0.68
SLC6A3 Q01959 7/20 0.68
HRH3 Q9Y5N1 12/20 0.60

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
SCHEMBL5244480 0.85 SLC6A4 (0.79) SLC6A4SLC6A2SLC6A3HRH3
SCHEMBL750327 0.85 SLC6A4 (0.78) SLC6A4SLC6A2SLC6A3HRH3
SCHEMBL1038184 0.84 SLC6A4 (0.68) SLC6A4SLC6A2SLC6A3HRH3
SCHEMBL5245712 0.84 SLC6A4 (0.71) SLC6A4SLC6A2SLC6A3HRH3
SCHEMBL752057 0.84 SLC6A2 (0.73) SLC6A4SLC6A2SLC6A3
SCHEMBL750625 0.84 SLC6A4 (0.73) SLC6A4SLC6A2SLC6A3HRH3
SCHEMBL11792580 0.82 SLC6A4 (0.76) SLC6A4SLC6A2SLC6A3HRH3
SCHEMBL11638679 0.81 SLC6A4 (1.00) SLC6A4SLC6A2SLC6A3HRH3
SCHEMBL12573229 0.81 SLC6A2 (0.61) SLC6A4SLC6A2SLC6A3
SCHEMBL1120135 0.81 SLC6A2 (0.61) SLC6A4SLC6A2SLC6A3

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 4 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 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 (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-20060194837-A1 Tetrahydroisoquinoline compounds HRH3, HRH4, HRH1 SLC6A4 10/4885SLC6A2 23/4885SLC6A3 36/4885

“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.