SCHEMBL17687871

SCHEMBL17687871

CC(C)(C)OC(=O)N1CC(Oc2cnnc(-c3cccc(C=O)c3)c2)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 7/20 0.40
▸ CACNB4 O00305 1/20 0.38
▸ CACNA1A O00555 1/20 0.38
▸ CACNA1G O43497 1/20 0.38
▸ CACNG3 O60359 1/20 0.38
▸ CACNA1F O60840 1/20 0.38
▸ CACNA1H O95180 1/20 0.38
▸ CACNB3 P54284 1/20 0.38
▸ CACNA2D1 P54289 1/20 0.38
▸ CACNG7 P62955 1/20 0.38
▸ CACNA1B Q00975 1/20 0.38
▸ CACNA1D Q01668 1/20 0.38
▸ CACNB1 Q02641 1/20 0.38
▸ CACNG1 Q06432 1/20 0.38
▸ CACNB2 Q08289 1/20 0.38
▸ CACNA1S Q13698 1/20 0.38
▸ CACNA1C Q13936 1/20 0.38
▸ CACNA1E Q15878 1/20 0.38
▸ CACNA2D4 Q7Z3S7 1/20 0.38
▸ CACNA2D3 Q8IZS8 1/20 0.38

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
SCHEMBL17687865 0.93 USP30 (0.45) USP30GPR119CHEK2
SCHEMBL17687866 0.93 USP30 (0.45) USP30GPR119CHEK2
SCHEMBL17687958 0.84 USP30 (0.46) USP30CACNB4CACNA1ACACNA1GCACNG3
SCHEMBL17687823 0.83 DYRK1A (0.34) —
SCHEMBL17687870 0.83 USP30 (0.39) USP30CACNB4CACNA1ACACNA1GCACNG3
SCHEMBL17687985 0.82 CACNB4 (0.43) USP30CACNB4CACNA1ACACNA1GCACNG3
SCHEMBL23301161 0.81 USP30 (0.49) USP30CACNB4CACNA1ACACNA1GCACNG3
SCHEMBL29942888 0.81 USP30 (0.49) USP30CACNB4CACNA1ACACNA1GCACNG3
SCHEMBL17687808 0.81 SCD5 (0.39) SCD
SCHEMBL17687811 0.81 SCD5 (0.39) SCD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3207042-B1 ANTIBACTERIAL BASIC BIAROMATIC DERIVATIVES WITH AMINOALKOXY SUBSTITUTION IDORSIA PHARMACEUTICALS LTD (CH) 2018-10-03 — — EP disclosed
US-9850256-B2 Antibacterial basic biaromatic derivatives with aminoalkoxy substitution IDORSIA PHARMACEUTICALS LTD (CH) 2017-12-26 — — US disclosed
US-20170305927-A1 ANTIBACTERIAL BASIC BIAROMATIC DERIVATIVES WITH AMINOALKOXY SUBSTITUTION IDORSIA PHARMACEUTICALS LTD (CH) 2017-10-26 — — US disclosed
EP-3207042-A1 ANTIBACTERIAL BASIC BIAROMATIC DERIVATIVES WITH AMINOALKOXY SUBSTITUTION Idorsia Pharmaceuticals Ltd (CH) 2017-08-23 — — EP disclosed
WO-2016059097-A1 ANTIBACTERIAL BASIC BIAROMATIC DERIVATIVES WITH AMINOALKOXY SUBSTITUTION ACTELION PHARMACEUTICALS LTD (CH) 2016-04-21 — — 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 (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-20170305927-A1 ANTIBACTERIAL BASIC BIAROMATIC DERIVATIVES WITH AMINOALKOXY SUBSTITUTION RPSA, RPL4, RPS4Y1 USP30 1237/4885CACNB4 1349/4885CACNA1A 627/4885

“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.

Send feedback