SCHEMBL4025810

SCHEMBL4025810

COc1cc2c(cc1OC)[C@H](CCc1ccccc1C)NCC2

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.56
MEN1 O00255 2/20 0.56
BCHE P06276 1/20 0.53
KDM4C Q9H3R0 1/20 0.51
GRIN2D O15399 4/20 0.49
GRIN3B O60391 4/20 0.49
GRIN1 Q05586 4/20 0.49
GRIN2A Q12879 4/20 0.49
GRIN2B Q13224 4/20 0.49
GRIN2C Q14957 4/20 0.49
GRIN3A Q8TCU5 4/20 0.49
RAB9A P51151 1/20 0.49
TSHR P16473 1/20 0.49

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
SCHEMBL4024456 0.90 KMT2A (0.59) KMT2AMEN1BCHEKDM4CGRIN2D
SCHEMBL4025105 0.89 KDM4C (0.53) KMT2AMEN1BCHEKDM4CGRIN2D
SCHEMBL4025053 0.87 KMT2A (0.65) KMT2AMEN1BCHEKDM4CGRIN2D
SCHEMBL4024598 0.87 KMT2A (0.55) KMT2AMEN1BCHEKDM4CGRIN2D
SCHEMBL5742442 0.87 KMT2A (0.65) KMT2AMEN1BCHEKDM4CGRIN2D
SCHEMBL6181835 0.85 KMT2A (0.53) KMT2AMEN1BCHEKDM4CGRIN2D
Hydrochloric Acid SCHEMBL11616569 0.85 KMT2A (0.48) KMT2AMEN1BCHEKDM4CGRIN2D
SCHEMBL4025943 0.84 KMT2A (0.52) KMT2AMEN1BCHEKDM4CGRIN2D
SCHEMBL6374574 0.84 KMT2A (0.64) KMT2AMEN1BCHEKDM4CTSHR
SCHEMBL4026551 0.83 KDM4C (0.52) KMT2AMEN1BCHEKDM4CGRIN2D

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 1135/4885BCHE 1267/4885

“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.