SCHEMBL5117988

SCHEMBL5117988

OC1(C#Cc2cccc(Cl)c2)CCN(c2cncc(Cl)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 9/20 0.46
CHRNB2 P17787 3/20 0.44
CHRNA4 P43681 3/20 0.44
CHRNA1 P02708 1/20 0.40
CHRNA7 P36544 1/20 0.40
MAP3K14 Q99558 4/20 0.38
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
PTGES O14684 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
SCHEMBL5122939 0.90 GRM5 (0.43) GRM5MAP3K14
SCHEMBL5130025 0.89 GRM5 (0.44) GRM5MAP3K14PTGES
SCHEMBL5122918 0.87 GRM5 (0.54) GRM5
SCHEMBL5115831 0.87 GRM5 (0.43) GRM5CHRNB2CHRNA4CHRNA1CHRNA7
SCHEMBL5124137 0.86 GRM5 (0.50) GRM5PTGES
SCHEMBL5125859 0.84 GRM5 (0.47) GRM5PTGES
SCHEMBL5124317 0.83 GRM5 (0.45) GRM5MAP3K14PTGES
SCHEMBL5115129 0.81 HTR2A (0.42) GRM5MAP3K14PTGES
SCHEMBL5129624 0.80 GRM5 (0.45) GRM5MAP3K14PTGES
SCHEMBL5122183 0.80 GRM5 (0.43) GRM5MAP3K14PTGES

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080269250-A1 Pyrrolidine and Piperidine Acetylene Derivatives for Use as Mglur5 Antagonists NOVARTIS AG (CH) 2008-10-30 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-20080269250-A1 Pyrrolidine and Piperidine Acetylene Derivatives for Use as Mglur5 Antagonists GRM5, GRIK5, GRM1 GRM5 1/4885CHRNB2 337/4885CHRNA4 81/4885

“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.