SCHEMBL4028185

SCHEMBL4028185

COc1ccc(CCNC(=O)CCc2ccc(F)c(F)c2)cc1OC

nearest known ligand 0.73

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.73
MEN1 O00255 2/20 0.73
ALDH1A1 P00352 2/20 0.61
MAPT P10636 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61

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
SCHEMBL4022887 0.91 KMT2A (0.87) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL6376696 0.90 CA1 (0.67) KMT2AMEN1
SCHEMBL4023394 0.89 KMT2A (0.79) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL4025101 0.87 KMT2A (0.65) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL6375210 0.85 KMT2A (0.81) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL23392535 0.84 MAPT (0.77) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL23417617 0.84 ALDH1A1 (0.77) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL4026085 0.84 CA1 (0.69) KMT2AMEN1
SCHEMBL2474840 0.83 KMT2A (0.74) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL5192269 0.83 KMT2A (0.74) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2

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 KMT2A 1035/4885MEN1 1135/4885ALDH1A1 1059/4885

“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.