SCHEMBL4501645

SCHEMBL4501645

CCCCCC(C)NC(=O)CC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.47
ADH1B P00325 1/20 0.47
ADH1C P00326 1/20 0.47
ADH1A P07327 1/20 0.47
ADH4 P08319 1/20 0.47
ADH7 P40394 1/20 0.47
MEN1 O00255 1/20 0.47
MAPK1 P28482 1/20 0.47
KMT2A Q03164 1/20 0.47
MLYCD O95822 1/20 0.46
CA1 P00915 2/20 0.45
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
TAS1R2 Q8TE23 1/20 0.44
PRSS1 P07477 1/20 0.42
CTSG P08311 1/20 0.42
CTRB1 P17538 1/20 0.42
CMA1 P23946 1/20 0.42
GPR84 Q9NQS5 4/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL15444589 1.00 FAAH (0.47) FAAHADH1BADH1CADH1AADH4
SCHEMBL13267751 0.98 FAAH (0.50) FAAHADH1BADH1CADH1AADH4
SCHEMBL2182220 0.98 FAAH (0.50) FAAHADH1BADH1CADH1AADH4
SCHEMBL28345296 0.98 FAAH (0.50) FAAHADH1BADH1CADH1AADH4
SCHEMBL15961732 0.94 TAS1R3 (0.49) FAAHADH1BADH1CADH1AADH4
SCHEMBL14370371 0.89 FAAH (0.48) FAAHADH1BADH1CADH1AADH4
SCHEMBL1516132 0.86 FAAH (0.66) FAAHMEN1MAPK1KMT2AKCNK3
SCHEMBL5146513 0.86 FAAH (0.46) FAAHADH1BADH1CADH1AADH4
SCHEMBL8848209 0.85 POLB (0.55) FAAHMEN1MAPK1KMT2APOLB
SCHEMBL16298854 0.85 POLB (0.55) FAAHMEN1MAPK1KMT2APOLB

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 4 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
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

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 FAAH 42/4885ADH1B 928/4885ADH1C 919/4885

“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.