SCHEMBL4256504

SCHEMBL4256504

O=C(O)N1CCC(CC#Cc2cc(F)cc(F)c2)CC1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GRIN2B Q13224 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
POLB P06746 1/20 0.35
HAO1 Q9UJM8 8/20 0.34
MGLL Q99685 1/20 0.33
SCN5A Q14524 1/20 0.33
SCN9A Q15858 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
SCHEMBL4256726 0.81 GRM5 (0.47) RAB9AGRIN2BHAO1
SCHEMBL1582131 0.78 ALOX5 (0.43) NPC1RAB9AL3MBTL1HAO1MGLL
SCHEMBL23327685 0.75 CYP2C9 (0.52) MEN1KMT2APOLB
SCHEMBL4263904 0.73 CHRNB2 (0.37) NPC1RAB9AL3MBTL1
SCHEMBL1187047 0.71 ALDH1A1 (0.31) RAB9A
SCHEMBL23365121 0.70 TACR3 (0.50) MEN1KMT2APOLB
SCHEMBL3639569 0.69 CHRM4 (0.39)
SCHEMBL1582114 0.69 FFAR1 (0.40) MEN1KMT2A
SCHEMBL4259026 0.68 GRM5 (0.46) SCN5A
SCHEMBL4257900 0.68 GRM5 (0.54)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090042841-A1 NOVEL HETEROCYCLIC DERIVATIVES AS M-GLU5 ANTAGONISTS RECORDATI IRELAND LIMITED (IE) 2009-02-12 US claimed
US-8518916-B2 Heterocyclic derivatives as M-GLU5 antagonists RECORDATI IRELAND LIMITED (IE) 2013-08-27 US disclosed
US-20090042841-A1 NOVEL HETEROCYCLIC DERIVATIVES AS M-GLU5 ANTAGONISTS RECORDATI IRELAND LIMITED (IE) 2009-02-12 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-20090042841-A1 NOVEL HETEROCYCLIC DERIVATIVES AS M-GLU5 ANTAGONISTS GRM5, GRIK5, GRM3 NPC1 3700/4885RAB9A 1012/4885L3MBTL1 2868/4885

“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.