SCHEMBL461240

SCHEMBL461240

FC(F)(F)c1ccccc1-c1noc(CCC#Cc2ccccn2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.40
AKR1B1 P15121 1/20 0.39
NPC1 O15118 4/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
RAB9A P51151 3/20 0.39
POLQ O75417 1/20 0.37
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
CYP1A2 P05177 4/20 0.36
CYP3A4 P08684 4/20 0.36
TSHR P16473 4/20 0.36
ALDH1A1 P00352 3/20 0.36
CYP2C19 P33261 3/20 0.36
HTT P42858 2/20 0.36
ALOX15 P16050 2/20 0.36
HSD17B10 Q99714 2/20 0.36
MAPK1 P28482 1/20 0.36
HIF1A Q16665 1/20 0.36
TDP1 Q9NUW8 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
SCHEMBL101965 0.85 GRM5 (0.44) GRM5NPC1SMN1; SMN2RAB9ATSHR
SCHEMBL101774 0.85 GRM5 (0.43) GRM5NPC1SMN1; SMN2RAB9ATSHR
SCHEMBL101626 0.83 ATM (0.50) GRM5NPC1SMN1; SMN2RAB9AHDAC1
SCHEMBL4198996 0.83 SMN1; SMN2 (0.47) GRM5NPC1SMN1; SMN2RAB9ACYP1A2
SCHEMBL102926 0.83 SMN1; SMN2 (0.50) NPC1SMN1; SMN2RAB9ATSHRALDH1A1
SCHEMBL102767 0.82 SMN1; SMN2 (0.48) GRM5NPC1SMN1; SMN2RAB9ATSHR
SCHEMBL101766 0.82 NPC1 (0.40) GRM5NPC1SMN1; SMN2RAB9ACYP3A4
SCHEMBL105128 0.80 NPC1 (0.42) GRM5NPC1SMN1; SMN2RAB9ATSHR
SCHEMBL101574 0.80 GRM5 (0.50) GRM5NPC1SMN1; SMN2RAB9AHDAC1
SCHEMBL4534120 0.80 RAB9A (0.52) NPC1SMN1; SMN2RAB9ACYP1A2TSHR

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 GRM5 1/4885AKR1B1 2108/4885NPC1 817/4885

“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.