SCHEMBL16789065

SCHEMBL16789065

CN1CC(OC(=O)C(NC(=O)OC(C)(C)C)c2ccccc2)C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 3/20 0.51
▸ CTSS P25774 1/20 0.51
▸ CYP2D6 P10635 2/20 0.46
▸ HTT P42858 1/20 0.46
▸ SCN9A Q15858 1/20 0.44
▸ CHRM4 P08173 2/20 0.44
▸ CHRM3 P20309 2/20 0.44
▸ S1PR3 Q99500 1/20 0.43
▸ ATM Q13315 1/20 0.42
▸ MMP2 P08253 2/20 0.41
▸ MMP9 P14780 2/20 0.41
▸ ANPEP P15144 2/20 0.41
▸ LTA4H P09960 1/20 0.41
▸ LAP3 P28838 1/20 0.41
▸ NPEPPS P55786 1/20 0.41
▸ ERAP2 Q6P179 1/20 0.41
▸ ERAP1 Q9NZ08 1/20 0.41
▸ LMNA P02545 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ HSD17B10 Q99714 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 0.91 CYP2D6 (0.54) CTSKCTSSCYP2D6HTTSCN9A
SCHEMBL8512117 0.91 CYP2D6 (0.54) CTSKCTSSCYP2D6HTTSCN9A
SCHEMBL16789073 0.91 CYP2D6 (0.54) CTSKCTSSCYP2D6HTTSCN9A
SCHEMBL8512111 0.91 CYP2D6 (0.54) CTSKCTSSCYP2D6HTTSCN9A
SCHEMBL16789066 0.89 CYP2D6 (0.64) CTSKCTSSCYP2D6HTTATM
SCHEMBL16789062 0.88 CTSS (0.49) CTSKCTSSCYP2D6HTTCHRM4
SCHEMBL8512022 0.85 LMNA (0.60) CTSKCTSSCYP2D6CHRM4CHRM3
SCHEMBL8512023 0.85 LMNA (0.60) CTSKCTSSCYP2D6CHRM4CHRM3
SCHEMBL8512028 0.85 LMNA (0.60) CTSKCTSSCYP2D6CHRM4CHRM3
SCHEMBL6347304 0.84 MMP2 (0.53) CTSKCTSSCYP2D6HTTCHRM4

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 6 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
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
WO-2015082616-A1 HETEROARYL DERIVATIVES FOR THE TREATMENT OF RESPIRATORY DISEASES CHIESI FARMACEUTICI S.P.A. (IT) 2015-06-11 — — WO 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

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-20150158858-A1 HETEROARYL DERIVATIVES PDE4A, PDE4B, PDE3A CTSK 2584/4885CTSS 1993/4885CYP2D6 483/4885

“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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