SCHEMBL4052069

SCHEMBL4052069

O=C1CCCC(O)(C#Cc2cccc(Cl)c2)C1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 6/20 0.46
NPC1 O15118 5/20 0.39
RAB9A P51151 5/20 0.39
POLB P06746 1/20 0.39
NR2F2 P24468 1/20 0.39
PTGES O14684 1/20 0.37
ATM Q13315 1/20 0.37
KCNH2 Q12809 1/20 0.37
MAP3K14 Q99558 2/20 0.37
CYP1A2 P05177 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
SCHEMBL3840451 0.84 GRM5 (0.48) GRM5NPC1RAB9APOLBNR2F2
SCHEMBL3377095 0.76 GRM5 (0.44) GRM5NPC1RAB9APOLBNR2F2
SCHEMBL5123963 0.75 GRM5 (0.43) GRM5PTGESKCNH2MAP3K14
SCHEMBL5115607 0.74 GRM5 (0.46) GRM5PTGESKCNH2MAP3K14CYP1A2
SCHEMBL1899368 0.73 GRM5 (0.49) GRM5PTGESKCNH2MAP3K14
SCHEMBL3276812 0.73 GRM5 (0.49) GRM5PTGESKCNH2MAP3K14
SCHEMBL5122918 0.72 GRM5 (0.54) GRM5CYP1A2
SCHEMBL4046766 0.72 GRM5 (0.41) GRM5NPC1RAB9APTGESKCNH2
SCHEMBL1899365 0.72 GRM5 (0.51) GRM5POLB
SCHEMBL3276329 0.72 GRM5 (0.51) GRM5POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1877364-B1 PHENYLACETYLENE DERIVATIVES HAVING MGLUR5 RECEPTOR AFFINITY NOVARTIS AG (CH) 2009-04-08 EP disclosed
US-20080188490-A1 Acetylene Derivatives NOVARTIS AG (CH) 2008-08-07 US disclosed
EP-1877364-A1 PHENYLACETYLENE DERIVATIVES HAVING MGLUR5 RECEPTOR AFFINITY Novartis AG (CH) 2008-01-16 EP disclosed
WO-2006114260-A1 PHENYLACETYLENE DERIVATIVES HAVING MGLUR5 RECEPTOR AFFINITY NOVARTIS AG (CH) 2006-11-02 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-20080188490-A1 Acetylene Derivatives NAT1, CYP1A2, NAT10 GRM5 3598/4885NPC1 243/4885RAB9A 2910/4885

“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.