SCHEMBL16789062

SCHEMBL16789062

CN1CCC(OC(=O)C(NC(=O)OC(C)(C)C)c2ccccc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 1/20 0.49
▸ CTSK P43235 1/20 0.49
▸ CHRM3 P20309 5/20 0.47
▸ CHRM4 P08173 2/20 0.47
▸ CHRM2 P08172 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ CHRM1 P11229 2/20 0.46
▸ CHRM5 P08912 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ CYP2D6 P10635 3/20 0.45
▸ HTT P42858 1/20 0.45
▸ SCN1A P35498 1/20 0.44
▸ SCN2A Q99250 1/20 0.44
▸ SCN3A Q9NY46 1/20 0.44
▸ HTR1A P08908 1/20 0.44
▸ ADRA2A P08913 1/20 0.44
▸ DRD1 P21728 1/20 0.44
▸ SLC6A2 P23975 1/20 0.44
▸ ADRA1A P35348 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
SCHEMBL16789073 0.93 CYP2D6 (0.54) CTSSCTSKCHRM3CHRM4CHRM2
SCHEMBL8512111 0.93 CYP2D6 (0.54) CTSSCTSKCHRM3CHRM4CHRM2
SCHEMBL8512117 0.93 CYP2D6 (0.54) CTSSCTSKCHRM3CHRM4CHRM2
SCHEMBL8516088 0.93 CYP2D6 (0.54) CTSSCTSKCHRM3CHRM4CHRM2
SCHEMBL16789065 0.88 CTSK (0.51) CTSSCTSKCHRM3CHRM4CHRM2
SCHEMBL6347304 0.87 MMP2 (0.53) CTSSCTSKCHRM3CHRM4CHRM2
SCHEMBL27770063 0.87 MMP2 (0.53) CTSSCTSKCHRM3CHRM4CHRM2
SCHEMBL16789066 0.87 CYP2D6 (0.64) CTSSCTSKMEN1KMT2ACYP2D6
SCHEMBL16789063 0.86 BCHE (0.54) CTSSCTSKMEN1KMT2AALDH1A1
SCHEMBL8512028 0.85 LMNA (0.60) CTSSCTSKCHRM3CHRM4CHRM2

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106459020-B Amino ester derivatives 奇斯药制品公司 2019-06-18 — — CN disclosed
US-10117860-B2 Aminoester derivatives CHIESI FARMACEUTICI S.P.A. (IT) 2018-11-06 — — US disclosed
EP-3152201-B1 AMINOESTER DERIVATIVES CHIESI FARM SPA (IT) 2018-08-29 — — EP disclosed
US-20170340616-A1 AMINOESTER DERIVATIVES CHIESI FARMACEUTICI S.P.A. (IT) 2017-11-30 — — US disclosed
US-20170340616-A1 AMINOESTER DERIVATIVES CHIESI FARMACEUTICI S.P.A. (IT) 2017-11-30 — — US disclosed
EP-3077385-B1 HETEROARYL DERIVATIVES FOR THE TREATMENT OF RESPIRATORY DISEASES CHIESI FARM SPA (IT) 2017-10-04 — — EP disclosed
US-9763924-B2 Aminoester derivatives CHIESI FARMACEUTICI S.P.A. (IT) 2017-09-19 — — US disclosed
US-9763924-B2 Aminoester derivatives CHIESI FARMACEUTICI S.P.A. (IT) 2017-09-19 — — US disclosed
US-9763924-B2 Aminoester derivatives CHIESI FARMACEUTICI S.P.A. (IT) 2017-09-19 — — US disclosed
EP-3152201-A1 AMINOESTER DERIVATIVES Chiesi Farmaceutici S.p.A. (IT) 2017-04-12 — — EP disclosed
US-20150352091-A1 AMINOESTER DERIVATIVES CHIESI FARMACEUTICI S.P.A. (IT) 2015-12-10 — — US disclosed
US-20150352091-A1 AMINOESTER DERIVATIVES CHIESI FARMACEUTICI S.P.A. (IT) 2015-12-10 — — US disclosed
US-20150352091-A1 AMINOESTER DERIVATIVES CHIESI FARMACEUTICI S.P.A. (IT) 2015-12-10 — — US disclosed
WO-2015185649-A1 AMINOESTER DERIVATIVES CHIESI FARMACEUTICI S.P.A. (IT) 2015-12-10 — — WO disclosed
WO-2015185649-A1 AMINOESTER DERIVATIVES CHIESI FARMACEUTICI S.P.A. (IT) 2015-12-10 — — WO 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20170340616-A1 AMINOESTER DERIVATIVES PDE4A, PDE4B, PDE3A CTSS 2361/4885CTSK 2757/4885CHRM3 8/4885
US-20150352091-A1 AMINOESTER DERIVATIVES PDE4A, PDE4B, PDE3A CTSS 2361/4885CTSK 2757/4885CHRM3 8/4885
US-20150158858-A1 HETEROARYL DERIVATIVES PDE4A, PDE4B, PDE3A CTSS 1993/4885CTSK 2584/4885CHRM3 4/4885
US-10117860-B2 Aminoester derivatives PDE4A, PDE4B, PDE3A CTSS 2361/4885CTSK 2757/4885CHRM3 8/4885

“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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