SCHEMBL8512028

SCHEMBL8512028

CN1C2CCC1CC(OC(=O)C(NC(=O)OC(C)(C)C)c1ccccc1)C2

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.60
▸ CYP2D6 P10635 3/20 0.60
▸ CYP2C9 P11712 1/20 0.60
▸ HSD17B10 Q99714 1/20 0.60
▸ CHRM2 P08172 6/20 0.59
▸ CHRM5 P08912 6/20 0.59
▸ CHRM1 P11229 6/20 0.59
▸ CHRM3 P20309 6/20 0.59
▸ CHRM4 P08173 5/20 0.59
▸ BLM P54132 2/20 0.59
▸ SMN1; SMN2 Q16637 1/20 0.59
▸ TDP1 Q9NUW8 1/20 0.59
▸ HTR2C P28335 3/20 0.57
▸ MEN1 O00255 2/20 0.57
▸ KMT2A Q03164 2/20 0.57
▸ ADRA2C P18825 2/20 0.57
▸ ADRA1A P35348 2/20 0.57
▸ HRH1 P35367 2/20 0.57
▸ ADRA1D P25100 2/20 0.57
▸ KDM4E B2RXH2 1/20 0.57

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
SCHEMBL8512023 1.00 LMNA (0.60) LMNACYP2D6CYP2C9HSD17B10CHRM2
SCHEMBL8512022 1.00 LMNA (0.60) LMNACYP2D6CYP2C9HSD17B10CHRM2
SCHEMBL16789061 0.88 KMT2A (0.58) LMNACYP2D6CYP2C9HSD17B10CHRM2
SCHEMBL17677464 0.86 CHRNA7 (0.45) LMNACYP2D6CYP2C9HSD17B10CHRM2
SCHEMBL16789062 0.85 CTSS (0.49) CYP2D6CHRM2CHRM5CHRM1CHRM3
SCHEMBL16789065 0.85 CTSK (0.51) LMNACYP2D6CYP2C9HSD17B10CHRM2
SCHEMBL18268335 0.85 CTSS (0.49) LMNACYP2D6CYP2C9HSD17B10CHRM2
SCHEMBL20830666 0.85 CTSS (0.49) LMNACYP2D6CYP2C9HSD17B10CHRM2
SCHEMBL16802186 0.84 CTSK (0.48) LMNACYP2D6CYP2C9HSD17B10CHRM2
SCHEMBL6347304 0.84 MMP2 (0.53) LMNACYP2D6CYP2C9HSD17B10CHRM2

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 16 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-9133185-B2 Heteroaryl derivatives CHIESI FARMACEUTICI S.P.A (IT) 2015-09-15 — — US disclosed
US-9133185-B2 Heteroaryl derivatives CHIESI FARMACEUTICI S.P.A (IT) 2015-09-15 — — US disclosed
US-20150158858-A1 HETEROARYL DERIVATIVES CHIESI FARMACEUTICI S.P.A. (IT) 2015-06-11 — — US disclosed
US-20150158858-A1 HETEROARYL DERIVATIVES CHIESI FARMACEUTICI S.P.A. (IT) 2015-06-11 — — US disclosed
WO-2015082616-A1 HETEROARYL DERIVATIVES FOR THE TREATMENT OF RESPIRATORY DISEASES CHIESI FARMACEUTICI S.P.A. (IT) 2015-06-11 — — WO 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
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 (2 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 LMNA 3784/4885CYP2D6 588/4885CYP2C9 1033/4885
US-20150158858-A1 HETEROARYL DERIVATIVES PDE4A, PDE4B, PDE3A LMNA 3438/4885CYP2D6 483/4885CYP2C9 602/4885

“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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