SCHEMBL7085945

SCHEMBL7085945

CC#CC[C@@H](CCC)C(=O)N[C@@H](CC(C)C)C(N)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERAP2 Q6P179 4/20 0.40
ERAP1 Q9NZ08 4/20 0.40
LNPEP Q9UIQ6 4/20 0.40
BIRC2 Q13490 3/20 0.38
GRIK1 P39086 1/20 0.38
GRIK2 Q13002 1/20 0.38
MME P08473 2/20 0.38
MMP9 P14780 3/20 0.37
MMP3 P08254 3/20 0.37
MMP1 P03956 1/20 0.37
FCER2 P06734 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
IL1RN P18510 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA9 Q16790 1/20 0.36

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
SCHEMBL4021260 0.87 HDAC8 (0.46) ERAP2ERAP1LNPEPBIRC2MME
SCHEMBL27427799 0.87 HDAC8 (0.46) ERAP2ERAP1LNPEPBIRC2MME
SCHEMBL7081675 0.84 GRIK1 (0.37) ERAP2ERAP1LNPEPBIRC2GRIK1
SCHEMBL7134376 0.84 GRIK1 (0.37) ERAP2ERAP1LNPEPBIRC2GRIK1
SCHEMBL7085940 0.82 GRIK1 (0.36) BIRC2GRIK1GRIK2HDAC1HDAC2
SCHEMBL7085892 0.77 GRIK1 (0.46) GRIK1GRIK2HDAC1HDAC2HDAC8
SCHEMBL7082795 0.77 GRIK1 (0.46) GRIK1GRIK2HDAC1HDAC2HDAC8
Hydrochloric Acid SCHEMBL11172909 0.75 DPP8 (0.45) ERAP2ERAP1LNPEPMMP9CA12
SCHEMBL7082813 0.74 GRIK1 (0.38) BIRC2GRIK1GRIK2HDAC3HDAC4
SCHEMBL31057050 0.73 HDAC8 (0.52) GRIK1GRIK2HDAC3HDAC4HDAC1

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 ERAP2 2144/4885ERAP1 2318/4885LNPEP 2283/4885

“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.