SCHEMBL1035892

SCHEMBL1035892

COc1ccc(C(=O)CN(C)Cc2cccc(OCCCO)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 5/20 0.49
ALDH1A1 P00352 1/20 0.48
ACHE P22303 8/20 0.48
BCHE P06276 5/20 0.48
SLC2A4 P14672 2/20 0.47
SLC2A8 Q9NY64 1/20 0.47
SIGMAR1 Q99720 1/20 0.46
HSD17B2 P37059 1/20 0.45

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
SCHEMBL1039110 0.91 SIGMAR1 (0.51) ALDH1A1ACHEBCHESIGMAR1HSD17B2
SCHEMBL1037264 0.89 SLC2A1 (0.47) SLC2A1ALDH1A1ACHEBCHESIGMAR1
SCHEMBL1033735 0.87 KDM4E (0.44) SLC2A1ALDH1A1ACHEBCHE
SCHEMBL1036749 0.87 KDM4E (0.48) ALDH1A1ACHEBCHE
SCHEMBL1037167 0.87 SLC2A1 (0.55) SLC2A1ACHESLC2A4SLC2A8
SCHEMBL1032923 0.87 ACHE (0.43) ALDH1A1ACHEBCHE
SCHEMBL1034160 0.86 SLC2A1 (0.47) SLC2A1ACHEBCHESLC2A4SLC2A8
SCHEMBL1037998 0.86 ACHE (0.42) ACHEBCHE
SCHEMBL1035600 0.86 SMN1; SMN2 (0.45) ALDH1A1ACHEBCHE
SCHEMBL1038530 0.84 ACHE (0.47) ALDH1A1ACHEBCHESIGMAR1

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 SLC2A1 376/4885ALDH1A1 2450/4885ACHE 2621/4885

“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.