SCHEMBL5129247

SCHEMBL5129247

O=C(c1ccc(Cl)cc1)N1CCCC(O)(C#Cc2cccc(Cl)c2)C1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 9/20 0.48
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
LMNA P02545 2/20 0.47
HTT P42858 1/20 0.47
ENPP2 Q13822 1/20 0.46
ATXN2 Q99700 1/20 0.46
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MGLL Q99685 1/20 0.44
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
GPR183 P32249 1/20 0.41

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
SCHEMBL5116497 0.93 GRM5 (0.46) GRM5HPGDSMN1; SMN2LMNAHTT
SCHEMBL5123256 0.91 CYP3A4 (0.47) GRM5HPGDSMN1; SMN2LMNAHTT
SCHEMBL5128145 0.90 SMN1; SMN2 (0.46) GRM5HPGDSMN1; SMN2LMNAHTT
SCHEMBL5124159 0.89 SMN1; SMN2 (0.52) GRM5HPGDSMN1; SMN2LMNAHTT
SCHEMBL5130117 0.88 GRM5 (0.44) GRM5HPGDSMN1; SMN2LMNAHTT
SCHEMBL5128669 0.87 SPR (0.42) GRM5ENPP2ATXN2MEN1ALDH1A1
SCHEMBL5128749 0.87 NPC1 (0.48) GRM5HPGDENPP2ATXN2POLB
SCHEMBL5125308 0.86 PKM (0.56) GRM5LMNAENPP2ATXN2MEN1
SCHEMBL5122268 0.84 ENPP2 (0.48) GRM5HPGDSMN1; SMN2LMNAENPP2
SCHEMBL5114700 0.81 GRM5 (0.46) GRM5

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 1/4885HPGD 582/4885SMN1; SMN2 2698/4885

“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.