SCHEMBL5129681

SCHEMBL5129681

Cc1cccnc1N1CCC(O)(C#Cc2cccc(Cl)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 6/20 0.46
MALT1 Q9UDY8 4/20 0.46
TRPV1 Q8NER1 1/20 0.43
AVPR1A P37288 1/20 0.42
TRPA1 O75762 1/20 0.40
STK4 Q13043 1/20 0.39
STK3 Q13188 1/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAP3K14 Q99558 2/20 0.37
PKD1 P98161 1/20 0.37

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
SCHEMBL5128492 0.84 GRM5 (0.43) GRM5MAP3K14PKD1
SCHEMBL5129376 0.83 GRM5 (0.46) GRM5KDM4EMAPTMAP3K14
SCHEMBL5129146 0.81 GRM5 (0.47) GRM5AVPR1ANPSR1
SCHEMBL5118732 0.81 GRM5 (0.44) GRM5MAP3K14
SCHEMBL5119696 0.81 ALDH1A1 (0.50) GRM5KDM4E
SCHEMBL5129798 0.80 GRM5 (0.43) GRM5MAP3K14
SCHEMBL15214296 0.78 GRM5 (0.70) GRM5MALT1TRPV1AVPR1A
SCHEMBL5115831 0.77 GRM5 (0.43) GRM5MAP3K14
SCHEMBL5128572 0.77 GRM5 (0.49) GRM5MAPTMAP3K14
SCHEMBL5129624 0.77 GRM5 (0.45) GRM5MAP3K14

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 1/4885MALT1 4704/4885TRPV1 79/4885

“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.