SCHEMBL5123377

SCHEMBL5123377

Cn1ccc(C(=O)N2CCC(O)(C#Cc3cccc(Cl)c3)CC2)n1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 8/20 0.46
MAP3K14 Q99558 7/20 0.40
ENPP2 Q13822 1/20 0.40
ATXN2 Q99700 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
RAB9A P51151 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39

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
SCHEMBL5125959 0.82 GRM5 (0.60) GRM5MAP3K14ENPP2ATXN2
SCHEMBL5122227 0.82 GRM5 (0.48) GRM5MAP3K14ENPP2ATXN2SMN1; SMN2
SCHEMBL5118654 0.81 KMT2A (0.51) GRM5SMN1; SMN2NPC1ALDH1A1RAB9A
SCHEMBL5128124 0.81 GRM5 (0.53) GRM5MAP3K14ALDH1A1
SCHEMBL5121708 0.81 GRM5 (0.61) GRM5ENPP2ATXN2NPC1RAB9A
SCHEMBL5129581 0.81 GRM5 (0.53) GRM5ENPP2ATXN2ALDH1A1HTR2A
SCHEMBL5129768 0.80 GRM5 (0.54) GRM5ENPP2ATXN2ALDH1A1
SCHEMBL5116664 0.80 GRM5 (0.46) GRM5MAP3K14ENPP2ATXN2SMN1; SMN2
SCHEMBL5125577 0.79 PKM (0.47) GRM5ENPP2ATXN2SMN1; SMN2ALDH1A1
SCHEMBL5115048 0.79 GRM5 (0.51) GRM5SMN1; SMN2ALDH1A1

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 1/4885MAP3K14 2105/4885ENPP2 1487/4885

“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.