SCHEMBL7082813

SCHEMBL7082813

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nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 3/20 0.38
GRIK2 Q13002 3/20 0.38
HDAC7 Q8WUI4 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
HDAC9 Q9UKV0 2/20 0.38
HDAC5 Q9UQL6 2/20 0.38
HDAC1 Q13547 3/20 0.35
HDAC2 Q92769 2/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
CA1 P00915 5/20 0.34
CA2 P00918 5/20 0.34
CHRM1 P11229 1/20 0.33
AKR1A1 P14550 1/20 0.33
CHRM3 P20309 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33

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
Valrocemide SCHEMBL4014030 0.83 HDAC7 (0.54) GRIK1GRIK2HDAC7HDAC8HDAC6
SCHEMBL7085943 0.81 GRIK1 (0.34) GRIK1GRIK2HDAC7HDAC8HDAC6
SCHEMBL7085946 0.80 HDAC7 (0.36) GRIK1GRIK2HDAC7HDAC8HDAC6
SCHEMBL7082795 0.78 GRIK1 (0.46) GRIK1GRIK2HDAC7HDAC8HDAC6
SCHEMBL7085892 0.78 GRIK1 (0.46) GRIK1GRIK2HDAC7HDAC8HDAC6
SCHEMBL7134376 0.77 GRIK1 (0.37) GRIK1GRIK2HDAC7HDAC8HDAC6
SCHEMBL7081675 0.77 GRIK1 (0.37) GRIK1GRIK2HDAC7HDAC8HDAC6
SCHEMBL7085940 0.75 GRIK1 (0.36) GRIK1GRIK2HDAC7HDAC8HDAC6
SCHEMBL7085945 0.74 ERAP2 (0.40) GRIK1GRIK2HDAC8HDAC1HDAC2
SCHEMBL139672 0.72 CHRM1 (0.60) 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 8 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
EP-1330429-A2 ALKYNYL AMIDES AND THEIR THERAPEUTIC APPLICATIONS Abbott Laboratories (US) 2003-07-30 EP disclosed
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
WO-2002036546-A2 ALKYNYL AMIDES AND THEIR THERAPEUTIC APPLICATIONS ABBOTT LABORATORIES (US) 2002-05-10 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-20020123528-A1 Alkynyl amides and their therapeutic applications SCN1A, FAAH2, SCN1B GRIK1 5/4885GRIK2 10/4885HDAC7 476/4885

“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.