SCHEMBL1037167

SCHEMBL1037167

COc1ccc(C(=O)CN(Cc2ccccc2)Cc2cccc(OCCCO)c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 5/20 0.55
NR1H3 Q13133 2/20 0.54
MEP1B Q16820 3/20 0.50
MEP1A Q16819 1/20 0.50
SLC2A4 P14672 2/20 0.48
SLC2A8 Q9NY64 1/20 0.48
TAS2R14 Q9NYV8 3/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
PPARG P37231 1/20 0.46
PPARA Q07869 1/20 0.46
HCRTR2 O43614 1/20 0.46
ACHE P22303 1/20 0.46

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
SCHEMBL6716308 0.89 MEP1B (0.59) SLC2A1NR1H3MEP1BMEP1ASLC2A4
SCHEMBL1035892 0.87 SLC2A1 (0.49) SLC2A1SLC2A4SLC2A8ACHE
SCHEMBL1034160 0.84 SLC2A1 (0.47) SLC2A1NR1H3SLC2A4SLC2A8TAS2R14
SCHEMBL1037725 0.84 NR1H3 (0.49) SLC2A1NR1H3SLC2A4SLC2A8TAS2R14
SCHEMBL1039110 0.78 SIGMAR1 (0.51) MEP1BACHE
SCHEMBL11413988 0.77 THRA (0.59) MEP1B
SCHEMBL1037264 0.76 SLC2A1 (0.47) SLC2A1ACHE
SCHEMBL2062287 0.75 CALM1 (0.62) NR1H3MEP1BMEP1ATAS2R14PPARG
SCHEMBL1036749 0.75 KDM4E (0.48) MEP1BRAB9AACHE
SCHEMBL1033735 0.75 KDM4E (0.44) SLC2A1ACHE

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 2 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
US-20060194837-A1 Tetrahydroisoquinoline compounds JANSSEN PHARMACEUTICA N.V. (BE) 2006-08-31 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-20060194837-A1 Tetrahydroisoquinoline compounds HRH3, HRH4, HRH1 SLC2A1 376/4885NR1H3 116/4885MEP1B 2610/4885

“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.