SCHEMBL396820

SCHEMBL396820

CCC#CC(=O)N(C(=O)OC(C)(C)C)c1ccc(F)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ4 P56696 3/20 0.37
KCNQ5 Q9NR82 3/20 0.37
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
RIPK1 Q13546 2/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
CPB2 Q96IY4 1/20 0.33
GRM2 Q14416 1/20 0.33
APP P05067 1/20 0.33
MAPT P10636 4/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
KDM1A O60341 2/20 0.32
HTR7 P34969 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32

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
SCHEMBL6215915 0.77 KCNQ4 (0.37) KCNQ4KCNQ5MEN1KMT2ARIPK1
SCHEMBL102581 0.74 KCNQ4 (0.43) KCNQ4KCNQ5MEN1KMT2ACTSS
SCHEMBL9222980 0.70 KCNQ4 (0.41) KCNQ4KCNQ5MEN1KMT2ACTSS
SCHEMBL273986 0.70 MEN1 (0.39) KCNQ4KCNQ5MEN1KMT2ARIPK1
SCHEMBL8349153 0.69 SSTR4 (0.43) KCNQ4KCNQ5MEN1KMT2AGRM2
SCHEMBL3349318 0.69 MLYCD (0.41) KCNQ4KCNQ5MEN1KMT2A
SCHEMBL29472297 0.68 POLQ (0.43) KCNQ4KCNQ5MEN1KMT2AGRM2
SCHEMBL3058971 0.68 GRIN1 (0.35) KCNQ4KCNQ5MEN1KMT2AGRM2
SCHEMBL3060027 0.68 CACNA1H (0.39) MEN1KMT2AMAPTLMNAHDAC8
SCHEMBL8289776 0.68 F2 (0.38) KCNQ4KCNQ5MEN1KMT2ARIPK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8101637-B2 Alkynyl derivatives as modulators of metatropic glutamate receptors ADDEX PHARMA SA (CH) 2012-01-24 US disclosed
US-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS ADDEX PHARMACEUTICALS SA (CH) 2009-05-14 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-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 KCNQ4 538/4885KCNQ5 252/4885MEN1 3565/4885

“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.