SCHEMBL8512111

SCHEMBL8512111

CN1CC[C@@H](OC(=O)C(NC(=O)OC(C)(C)C)c2ccccc2)C1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 2/20 0.54
▸ HTT P42858 1/20 0.54
▸ CHRM3 P20309 3/20 0.48
▸ CHRM4 P08173 2/20 0.48
▸ CHRM5 P08912 1/20 0.48
▸ CHRM1 P11229 1/20 0.48
▸ CTSS P25774 1/20 0.47
▸ CTSK P43235 1/20 0.47
▸ CYP1A2 P05177 2/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ ATM Q13315 1/20 0.44
▸ SCN9A Q15858 1/20 0.42
▸ CHRM2 P08172 1/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ S1PR3 Q99500 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ PKM P14618 1/20 0.40

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
SCHEMBL8516088 1.00 CYP2D6 (0.54) CYP2D6HTTCHRM3CHRM4CHRM5
SCHEMBL8512117 1.00 CYP2D6 (0.54) CYP2D6HTTCHRM3CHRM4CHRM5
SCHEMBL16789073 1.00 CYP2D6 (0.54) CYP2D6HTTCHRM3CHRM4CHRM5
SCHEMBL16789066 0.94 CYP2D6 (0.64) CYP2D6HTTCTSSCTSKCYP1A2
SCHEMBL16789062 0.93 CTSS (0.49) CYP2D6HTTCHRM3CHRM4CHRM5
SCHEMBL16789065 0.91 CTSK (0.51) CYP2D6HTTCHRM3CHRM4CHRM5
SCHEMBL16789068 0.85 CYP2D6 (0.43) CYP2D6HTTCHRM3CHRM4CHRM5
SCHEMBL18260361 0.84 CHRM3 (0.50) CHRM3CTSSCTSK
SCHEMBL18268310 0.84 CHRM3 (0.50) CHRM3CTSSCTSK
SCHEMBL8512022 0.83 LMNA (0.60) CYP2D6CHRM3CHRM4CHRM5CHRM1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3077385-B1 HETEROARYL DERIVATIVES FOR THE TREATMENT OF RESPIRATORY DISEASES CHIESI FARM SPA (IT) 2017-10-04 — — EP disclosed
EP-2643295-B1 GLYCINE DERIVATIVES AND THEIR USE AS MUSCARINIC RECEPTOR ANTAGONISTS CHIESI FARMA SPA (IT) 2016-04-13 — — EP disclosed
EP-2643295-B1 GLYCINE DERIVATIVES AND THEIR USE AS MUSCARINIC RECEPTOR ANTAGONISTS CHIESI FARMA SPA (IT) 2016-04-13 — — EP disclosed
US-8772314-B2 Glycine derivatives and medicinal compositions thereof CHIESI FARMACEUTICI S.P.A. (IT) 2014-07-08 — — US disclosed
US-8772314-B2 Glycine derivatives and medicinal compositions thereof CHIESI FARMACEUTICI S.P.A. (IT) 2014-07-08 — — US disclosed
US-8772314-B2 Glycine derivatives and medicinal compositions thereof CHIESI FARMACEUTICI S.P.A. (IT) 2014-07-08 — — US disclosed
EP-2643295-A1 GLYCINE DERIVATIVES AND THEIR USE AS MUSCARINIC RECEPTOR ANTAGONISTS Chiesi Farmaceutici S.p.A. (IT) 2013-10-02 — — EP disclosed
WO-2012069275-A1 GLYCINE DERIVATIVES AND THEIR USE AS MUSCARINIC RECEPTOR ANTAGONISTS CHIESI FARMACEUTICI S.P.A. (IT) 2012-05-31 — — WO disclosed
US-20120134934-A1 GLYCINE DERIVATIVES AND MEDICINAL COMPOSITIONS THEREOF CHIESI FARMACEUTICI S.P.A. (IT) 2012-05-31 — — US disclosed
US-20120134934-A1 GLYCINE DERIVATIVES AND MEDICINAL COMPOSITIONS THEREOF CHIESI FARMACEUTICI S.P.A. (IT) 2012-05-31 — — US disclosed
WO-2012069275-A1 GLYCINE DERIVATIVES AND THEIR USE AS MUSCARINIC RECEPTOR ANTAGONISTS CHIESI FARMACEUTICI S.P.A. (IT) 2012-05-31 — — WO disclosed
US-20120134934-A1 GLYCINE DERIVATIVES AND MEDICINAL COMPOSITIONS THEREOF CHIESI FARMACEUTICI S.P.A. (IT) 2012-05-31 — — 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-20120134934-A1 GLYCINE DERIVATIVES AND MEDICINAL COMPOSITIONS THEREOF CHRM3, GLRB, CHRNG CYP2D6 588/4885HTT 4690/4885CHRM3 1/4885

“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.

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