SCHEMBL459699

SCHEMBL459699

FC(F)(F)Oc1ccc(-c2noc(CCC#Cc3ccccn3)n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.52
MAPT P10636 3/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
PKM P14618 1/20 0.41
XBP1 P17861 1/20 0.41
GRM5 P41594 2/20 0.41
HDAC1 Q13547 3/20 0.40
HDAC8 Q9BY41 3/20 0.40
TDP1 Q9NUW8 3/20 0.40
HDAC2 Q92769 2/20 0.40
MMP2 P08253 1/20 0.40
MMP3 P08254 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
MMP13 P45452 1/20 0.40
CASP3 P42574 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 2/20 0.39

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
SCHEMBL102805 0.86 L3MBTL1 (0.58) S1PR1MAPTL3MBTL1NPC1RAB9A
SCHEMBL102368 0.85 NPC1 (0.51) S1PR1MAPTL3MBTL1NPC1RAB9A
SCHEMBL4534120 0.85 RAB9A (0.52) S1PR1L3MBTL1NPC1RAB9ATDP1
SCHEMBL101774 0.84 GRM5 (0.43) S1PR1MAPTNPC1RAB9APKM
SCHEMBL101866 0.83 TDP1 (0.53) MAPTL3MBTL1NPC1RAB9APKM
SCHEMBL101484 0.83 ALDH1A1 (0.53) MAPTL3MBTL1NPC1RAB9AHDAC1
SCHEMBL102404 0.82 SMN1; SMN2 (0.45) S1PR1MAPTL3MBTL1NPC1RAB9A
SCHEMBL461240 0.78 GRM5 (0.40) S1PR1MAPTL3MBTL1NPC1RAB9A
SCHEMBL101934 0.78 GRM5 (0.47) MAPTL3MBTL1NPC1RAB9AGRM5
SCHEMBL101741 0.78 GRM5 (0.53) MAPTL3MBTL1NPC1RAB9APKM

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 S1PR1 520/4885MAPT 630/4885L3MBTL1 4070/4885

“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.