SCHEMBL4026085

SCHEMBL4026085

COc1ccc(CC(=O)NCCc2ccc(OC)c(OC)c2)cc1F

nearest known ligand 0.74

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.69
CA2 P00918 2/20 0.69
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
CA12 O43570 1/20 0.60
CA9 Q16790 1/20 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
SCHEMBL6376696 0.94 CA1 (0.67) CA1CA2MEN1KMT2ACA12
SCHEMBL30738251 0.92 CA1 (0.79) CA1CA2MEN1KMT2ACA12
SCHEMBL248400 0.92 CA1 (0.79) CA1CA2MEN1KMT2ACA12
SCHEMBL4023715 0.88 CA1 (0.67) CA1CA2MEN1KMT2ACA12
SCHEMBL21346113 0.88 CA1 (0.73) CA1CA2MEN1KMT2ACA12
SCHEMBL21346179 0.88 CA1 (0.73) CA1CA2MEN1KMT2ACA12
SCHEMBL21346474 0.87 CA1 (0.72) CA1CA2MEN1KMT2ACA12
SCHEMBL2742531 0.86 CA1 (0.78) CA1CA2MEN1KMT2ACA12
SCHEMBL2742529 0.86 CA1 (0.82) CA1CA2MEN1KMT2ACA12
SCHEMBL146690 0.85 CA1 (0.69) CA1CA2MEN1KMT2ACA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1611104-B1 TETRAHYDROISOQUINOLYL ACETAMIDE DERIVATIVES FOR USE AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2009-07-01 EP disclosed
EP-1611104-B1 TETRAHYDROISOQUINOLYL ACETAMIDE DERIVATIVES FOR USE AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2009-07-01 EP disclosed
US-20060178515-A1 Tetrahydroisoquinolyl acetamide derivatives for use as orexin receptor antagonists ACTELION PHARMACEUTICALS, LTD. (CH) 2006-08-10 US disclosed
EP-1611104-A1 TETRAHYDROISOQUINOLYL ACETAMIDE DERIVATIVES FOR USE AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2006-01-04 EP disclosed
WO-2004085403-A1 TETRAHYDROISOQUINOLYL ACETAMIDE DERIVATIVES FOR USE AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2004-10-07 WO disclosed
WO-2004085403-A1 TETRAHYDROISOQUINOLYL ACETAMIDE DERIVATIVES FOR USE AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2004-10-07 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-20060178515-A1 Tetrahydroisoquinolyl acetamide derivatives for use as orexin receptor antagonists HCRTR2, HCRTR1, OXTR CA1 466/4885CA2 497/4885MEN1 1135/4885

“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.