SCHEMBL4029236

SCHEMBL4029236

COc1cc2c(cc1OC)[C@H](CCc1cc(F)c(F)c(F)c1)NCC2

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.55
KMT2A Q03164 4/20 0.54
MEN1 O00255 2/20 0.54
BCHE P06276 1/20 0.54
MAOA P21397 2/20 0.50
TSHR P16473 1/20 0.50
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
GRIN2D O15399 5/20 0.47
GRIN3B O60391 5/20 0.47
GRIN1 Q05586 5/20 0.47
GRIN2A Q12879 5/20 0.47
GRIN2B Q13224 5/20 0.47
GRIN2C Q14957 5/20 0.47
GRIN3A Q8TCU5 5/20 0.47
RAB9A P51151 1/20 0.47

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
SCHEMBL4025481 0.88 BCHE (0.58) KDM4CKMT2AMEN1BCHEGRIN2D
SCHEMBL4030199 0.86 BCHE (0.56) KDM4CKMT2AMEN1BCHE
SCHEMBL4025426 0.86 KDM4C (0.56) KDM4CKMT2AMEN1BCHEMAOA
SCHEMBL4029481 0.85 KDM4C (0.67) KDM4CKMT2AMEN1BCHE
SCHEMBL4026682 0.85 BCHE (0.56) KDM4CKMT2AMEN1BCHEMAOA
SCHEMBL5733878 0.85 BCHE (0.56) KDM4CKMT2AMEN1BCHEMAOA
SCHEMBL4027325 0.84 BCHE (0.56) KDM4CKMT2AMEN1BCHEGRIN2D
SCHEMBL4027162 0.84 BCHE (0.64) KDM4CKMT2AMEN1BCHE
SCHEMBL4023796 0.83 BCHE (0.53) KDM4CKMT2AMEN1BCHE
SCHEMBL6391182 0.83 ADRB2 (0.53) KDM4CKMT2AMEN1BCHEMAOA

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 KDM4C 3451/4885KMT2A 1035/4885MEN1 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.