SCHEMBL7085940

SCHEMBL7085940

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nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.36
GRIK2 Q13002 2/20 0.36
BIRC2 Q13490 1/20 0.35
PDF Q9HBH1 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
CNR2 P34972 3/20 0.33
CNR1 P21554 3/20 0.33
ECE1 P42892 1/20 0.32
ENPEP Q07075 2/20 0.32
CHRM1 P11229 1/20 0.31
AKR1A1 P14550 1/20 0.31
CHRM3 P20309 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
ADRA1A P35348 1/20 0.31
HRH1 P35367 1/20 0.31

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
SCHEMBL7081675 0.85 GRIK1 (0.37) GRIK1GRIK2BIRC2PDFHDAC7
SCHEMBL7134376 0.85 GRIK1 (0.37) GRIK1GRIK2BIRC2PDFHDAC7
SCHEMBL7085945 0.82 ERAP2 (0.40) GRIK1GRIK2BIRC2HDAC8HDAC1
SCHEMBL7082795 0.78 GRIK1 (0.46) GRIK1GRIK2HDAC7HDAC8HDAC6
SCHEMBL7085892 0.78 GRIK1 (0.46) GRIK1GRIK2HDAC7HDAC8HDAC6
SCHEMBL7082813 0.75 GRIK1 (0.38) GRIK1GRIK2BIRC2HDAC7HDAC8
SCHEMBL4022923 0.73 HDAC8 (0.47) GRIK1GRIK2BIRC2HDAC7HDAC8
SCHEMBL4022924 0.73 HDAC8 (0.47) GRIK1GRIK2BIRC2HDAC7HDAC8
SCHEMBL7085943 0.72 GRIK1 (0.34) GRIK1GRIK2HDAC7HDAC8HDAC6
SCHEMBL7085946 0.71 HDAC7 (0.36) GRIK1GRIK2HDAC7HDAC8HDAC6

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-1330429-A2 ALKYNYL AMIDES AND THEIR THERAPEUTIC APPLICATIONS Abbott Laboratories (US) 2003-07-30 EP claimed
US-6521790-B2 A most preferred compound is (2R)-2-propyl-4-hexynamide, an analog of valproic acid. treating seizures, migraine, psychiatric disorders, neuropathic pain and restlessness syndrome; neuroprotecting a cerebral insult; ABBOTT LABORATORIES 2003-02-18 US claimed
US-20020123528-A1 Alkynyl amides and their therapeutic applications ABBVIE INC. 2002-09-05 US claimed
WO-2002036546-A2 ALKYNYL AMIDES AND THEIR THERAPEUTIC APPLICATIONS ABBOTT LABORATORIES (US) 2002-05-10 WO claimed
US-6521790-B2 A most preferred compound is (2R)-2-propyl-4-hexynamide, an analog of valproic acid. treating seizures, migraine, psychiatric disorders, neuropathic pain and restlessness syndrome; neuroprotecting a cerebral insult; ABBOTT LABORATORIES 2003-02-18 US disclosed
US-20020123528-A1 Alkynyl amides and their therapeutic applications ABBVIE INC. 2002-09-05 US 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-20020123528-A1 Alkynyl amides and their therapeutic applications SCN1A, FAAH2, SCN1B GRIK1 5/4885GRIK2 10/4885BIRC2 3539/4885

“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.