SCHEMBL5115972

SCHEMBL5115972

O=C(c1cccnc1)N1CCC(O)(C#Cc2cccc(Cl)c2)CC1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.64
CHRM2 P08172 1/20 0.48
LMNA P02545 3/20 0.48
ALDH1A1 P00352 2/20 0.47
MEN1 O00255 1/20 0.47
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
TDP1 Q9NUW8 1/20 0.45
GRM5 P41594 3/20 0.44
ENPP2 Q13822 1/20 0.44
ATXN2 Q99700 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL5115659 0.94 PKM (0.58) PKMCHRM2LMNAALDH1A1MEN1
SCHEMBL5125577 0.89 PKM (0.47) PKMLMNAALDH1A1MEN1KMT2A
SCHEMBL5125308 0.88 PKM (0.56) PKMCHRM2LMNAMEN1MAPT
SCHEMBL5129768 0.88 GRM5 (0.54) PKMCHRM2ALDH1A1L3MBTL1GRM5
SCHEMBL5124584 0.88 PKM (0.47) PKMLMNAALDH1A1MAPTL3MBTL1
SCHEMBL5119674 0.85 GRM5 (0.47) PKMLMNAALDH1A1MEN1MAPT
SCHEMBL5115048 0.84 GRM5 (0.51) ALDH1A1MEN1KMT2ACYP3A4CYP2C9
SCHEMBL5119714 0.83 GRM5 (0.45) PKMLMNAALDH1A1MEN1MAPT
SCHEMBL5124023 0.83 SMN1; SMN2 (0.58) ALDH1A1MEN1KMT2ACYP3A4CYP2C9
SCHEMBL5122268 0.83 ENPP2 (0.48) PKMLMNAALDH1A1MEN1KMT2A

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 PKM 946/4885CHRM2 545/4885LMNA 4443/4885

“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.