SCHEMBL4027064

SCHEMBL4027064

COc1ccc(CCNC(=O)COc2ccccc2)cc1OC

nearest known ligand 0.87

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.87
LMNA P02545 3/20 0.75
PKM P14618 1/20 0.75
PTPN1 P18031 1/20 0.73
ALDH1A1 P00352 5/20 0.72
MAPT P10636 5/20 0.67
KMT2A Q03164 4/20 0.63
HTT P42858 2/20 0.63
MEN1 O00255 1/20 0.62
RXFP1 Q9HBX9 2/20 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
SCHEMBL24355629 0.89 LMNA (0.93) SMN1; SMN2LMNAPKMPTPN1ALDH1A1
SCHEMBL10073060 0.85 SMN1; SMN2 (0.71) SMN1; SMN2LMNAPKMPTPN1ALDH1A1
SCHEMBL3351879 0.84 CA12 (0.68) SMN1; SMN2LMNAPKMALDH1A1MAPT
SCHEMBL6376374 0.84 SMN1; SMN2 (0.67) SMN1; SMN2LMNAALDH1A1MAPTKMT2A
SCHEMBL6380843 0.83 ALDH1A1 (0.70) SMN1; SMN2ALDH1A1MAPTKMT2AHTT
SCHEMBL18045515 0.82 SMN1; SMN2 (0.61) SMN1; SMN2LMNAPKMPTPN1ALDH1A1
SCHEMBL3279938 0.82 ALDH1A1 (0.68) SMN1; SMN2ALDH1A1MAPTKMT2AHTT
SCHEMBL6375210 0.82 KMT2A (0.81) SMN1; SMN2LMNAALDH1A1MAPTKMT2A
SCHEMBL26259080 0.82 SMN1; SMN2 (0.61) SMN1; SMN2LMNAPKMALDH1A1KMT2A
SCHEMBL10452171 0.81 KMT2A (0.64) SMN1; SMN2LMNAPKMALDH1A1MAPT

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 SMN1; SMN2 4271/4885LMNA 3890/4885PKM 2968/4885

“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.