SCHEMBL4026595

SCHEMBL4026595

COc1ccc(CCNC(=O)CCCc2ccccc2)cc1OC

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAAT3 P53816 1/20 0.80
PLAAT5 Q96KN8 1/20 0.80
PLAAT2 Q9NWW9 1/20 0.80
PLAAT4 Q9UL19 1/20 0.80
MEN1 O00255 2/20 0.70
KMT2A Q03164 2/20 0.70
ALDH1A1 P00352 4/20 0.67
MAPT P10636 2/20 0.67
SMN1; SMN2 Q16637 2/20 0.67
NPC1 O15118 1/20 0.66
RAB9A P51151 1/20 0.66
TRPV1 Q8NER1 2/20 0.65
HPGD P15428 2/20 0.65
LMNA P02545 1/20 0.65
CYP1A2 P05177 1/20 0.64
CYP3A4 P08684 1/20 0.64
CYP2D6 P10635 1/20 0.64
CYP2C9 P11712 1/20 0.64
TSHR P16473 1/20 0.64
CYP2C19 P33261 1/20 0.64

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
SCHEMBL17117415 0.96 PLAAT3 (0.74) PLAAT3PLAAT5PLAAT2PLAAT4MEN1
SCHEMBL7278495 0.96 PLAAT3 (0.74) PLAAT3PLAAT5PLAAT2PLAAT4MEN1
SCHEMBL10436226 0.95 PLAAT3 (0.73) PLAAT3PLAAT5PLAAT2PLAAT4MEN1
SCHEMBL6375210 0.92 KMT2A (0.81) PLAAT3PLAAT5PLAAT2PLAAT4MEN1
SCHEMBL23417617 0.90 ALDH1A1 (0.77) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL23392535 0.90 MAPT (0.77) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL29501730 0.88 MEN1 (0.68) PLAAT3PLAAT5PLAAT2PLAAT4MEN1
SCHEMBL7274811 0.87 ALDH1A1 (0.70) PLAAT3PLAAT5PLAAT2PLAAT4MEN1
SCHEMBL17117338 0.86 PLAAT3 (0.74) PLAAT3PLAAT5PLAAT2PLAAT4MEN1
SCHEMBL8828335 0.86 KMT2A (0.64) PLAAT3PLAAT5PLAAT2PLAAT4MEN1

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 8 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
CN-100432056-C Tetrahydroisoquinolinylacetamide derivatives as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD (CH) 2008-11-12 CN disclosed
US-20060178515-A1 Tetrahydroisoquinolyl acetamide derivatives for use as orexin receptor antagonists ACTELION PHARMACEUTICALS, LTD. (CH) 2006-08-10 US disclosed
CN-1764647-A Tetrahydroisoquinolyl acetamide derivatives for use as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD (CH) 2006-04-26 CN 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 PLAAT3 1638/4885PLAAT5 1146/4885PLAAT2 965/4885

“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.