SCHEMBL17107637

SCHEMBL17107637

CC(C)(C)OC(=O)N1CCCC2(CC=CC2)C1=O

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 1/20 0.38
▸ GRIN2B Q13224 1/20 0.38
▸ GRIN2C Q14957 1/20 0.38
▸ PDE4A P27815 5/20 0.36
▸ PDE4B Q07343 5/20 0.36
▸ PDE4C Q08493 5/20 0.36
▸ PDE4D Q08499 5/20 0.36
▸ USP30 Q70CQ3 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ HRH3 Q9Y5N1 4/20 0.36
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ BUB1 O43683 1/20 0.33
▸ CTSK P43235 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL19839783 0.91 KDM1A (0.42) KDM1AGRIN2BGRIN2CPDE4APDE4B
SCHEMBL21408126 0.82 KDM1A (0.41) KDM1AGRIN2BGRIN2CPDE4APDE4B
SCHEMBL25232243 0.82 KDM1A (0.41) KDM1AGRIN2BGRIN2CPDE4APDE4B
SCHEMBL25281708 0.81 KDM1A (0.40) KDM1AGRIN2BGRIN2CPDE4APDE4B
SCHEMBL21425702 0.79 GRIN2B (0.41) KDM1AGRIN2BGRIN2CPDE4APDE4B
SCHEMBL29424761 0.79 USP30 (0.40) KDM1AGRIN2BGRIN2CPDE4APDE4B
SCHEMBL20456330 0.79 KDM1A (0.43) KDM1AGRIN2BGRIN2CPDE4APDE4B
SCHEMBL4703334 0.77 GRIN2B (0.42) KDM1AGRIN2BGRIN2CPDE4APDE4B
SCHEMBL21408149 0.74 KDM1A (0.41) KDM1APDE4APDE4BPDE4CPDE4D
SCHEMBL3269979 0.74 CYP2D6 (0.47) PDE4APDE4BPDE4CPDE4DUSP30

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3312164-B1 SUBSTITUTED HETEROARYL COMPOUNDS AND METHODS OF USE CALITOR SCIENCES LLC (US) 2020-12-09 — — EP disclosed
EP-3312164-A1 SUBSTITUTED HETEROARYL COMPOUNDS AND METHODS OF USE Calitor Sciences, LLC (US) 2018-04-25 — — EP disclosed
US-9403801-B2 Substituted heteroaryl compounds and methods of use CALITOR SCIENCES, LLC (US) 2016-08-02 — — US disclosed
US-20150274704-A1 SUBSTITUTED HETEROARYL COMPOUNDS AND METHODS OF USE SUNSHINE LAKE PHARMA CO., LTD. (CN) 2015-10-01 — — 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-20150274704-A1 SUBSTITUTED HETEROARYL COMPOUNDS AND METHODS OF USE PRKACA, PRKDC, PRKACB KDM1A 3198/4885GRIN2B 2560/4885GRIN2C 1562/4885

“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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