SCHEMBL5123091

SCHEMBL5123091

Nc1c(Cl)cccc1C(=O)N1CCC(O)(C#Cc2cccc(Cl)c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 6/20 0.43
P2RX7 Q99572 1/20 0.40
MGLL Q99685 1/20 0.39
ALDH1A1 P00352 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ENPP2 Q13822 1/20 0.39
ATXN2 Q99700 1/20 0.39
TSHR P16473 2/20 0.39
NPC1 O15118 1/20 0.39
ALOX15 P16050 1/20 0.39
CYP46A1 Q9Y6A2 1/20 0.38
RAB9A P51151 1/20 0.38
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
AVPR1A P37288 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
SCHEMBL5121839 0.84 MGLL (0.46) GRM5MGLLALDH1A1L3MBTL1ENPP2
SCHEMBL5122913 0.83 ALDH1A1 (0.59) GRM5MGLLALDH1A1L3MBTL1TSHR
SCHEMBL5128993 0.82 HTR4 (0.47) GRM5ALDH1A1TSHRNPC1ALOX15
SCHEMBL5129768 0.82 GRM5 (0.54) GRM5MGLLALDH1A1L3MBTL1ENPP2
SCHEMBL5118736 0.79 PTPN11 (0.46) GRM5ALDH1A1ENPP2ATXN2TSHR
SCHEMBL5130079 0.79 ALDH1A1 (0.59) GRM5ALDH1A1TSHRNPC1RAB9A
SCHEMBL5124080 0.79 GRM5 (0.44) GRM5ENPP2ATXN2CYP46A1
SCHEMBL5115717 0.79 ALDH1A1 (0.51) GRM5ALDH1A1L3MBTL1TSHRNPC1
SCHEMBL5115603 0.79 MGLL (0.51) GRM5MGLLALDH1A1ENPP2ATXN2
SCHEMBL5125577 0.79 PKM (0.47) GRM5ALDH1A1ENPP2ATXN2TSHR

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 1/4885P2RX7 345/4885MGLL 3523/4885

“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.