SCHEMBL5118061

SCHEMBL5118061

COc1ccccc1CC(=O)N1CCC(O)(C#Cc2cccc(Cl)c2)CC1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.63
MEN1 O00255 3/20 0.63
SIGMAR1 Q99720 2/20 0.49
LMNA P02545 2/20 0.47
MAPT P10636 2/20 0.47
TSHR P16473 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
GRM5 P41594 3/20 0.47
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 2/20 0.46
CYP2D6 P10635 1/20 0.44
ALOX15 P16050 1/20 0.43
CYP2C19 P33261 1/20 0.43
TACR2 P21452 1/20 0.42
TACR1 P25103 1/20 0.42

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
SCHEMBL5124552 0.89 KMT2A (0.49) KMT2AMEN1SIGMAR1LMNAMAPT
SCHEMBL5129058 0.86 MEN1 (0.50) KMT2AMEN1LMNAMAPTTSHR
SCHEMBL5118130 0.78 GRM5 (0.48) KMT2AMEN1LMNATSHRGRM5
SCHEMBL5115621 0.77 CYP1A2 (0.44) KMT2AMEN1LMNAHTTGRM5
SCHEMBL5123094 0.77 VHL (0.43) MAPTGRM5
SCHEMBL5121798 0.76 MEN1 (0.47) KMT2AMEN1LMNATSHRHTT
SCHEMBL5129292 0.76 KDM4E (0.51) KMT2AMEN1MAPTGRM5ALDH1A1
SCHEMBL5119623 0.75 TP53 (0.51) KMT2AMEN1LMNAMAPTSMN1; SMN2
SCHEMBL5119545 0.75 GRM5 (0.52) KMT2AMEN1GRM5
SCHEMBL5128993 0.74 HTR4 (0.47) KMT2AMEN1TSHRGRM5ALDH1A1

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 KMT2A 1939/4885MEN1 4024/4885SIGMAR1 190/4885

“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.