SCHEMBL7581840

SCHEMBL7581840

COC(=O)CN(C)C1CCC(NC(=O)OC(C)(C)C)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.44
BTK Q06187 1/20 0.43
GAA P10253 2/20 0.42
KDM1A O60341 1/20 0.41
MAOB P27338 1/20 0.41
CTSK P43235 2/20 0.40
EPHX2 P34913 1/20 0.39
DRD2 P14416 4/20 0.39
CA2 P00918 2/20 0.37
CA1 P00915 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
KCNA3 P22001 1/20 0.36
DRD3 P35462 1/20 0.36
REN P00797 1/20 0.36
CA12 O43570 1/20 0.35
CA14 Q9ULX7 1/20 0.35

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
SCHEMBL7581831 1.00 EPHX1 (0.44) EPHX1BTKGAAKDM1AMAOB
SCHEMBL7585234 0.86 BTK (0.41) EPHX1BTKGAAKDM1AMAOB
SCHEMBL7585222 0.86 BTK (0.41) EPHX1BTKGAAKDM1AMAOB
SCHEMBL7587093 0.84 EPHX2 (0.40) EPHX1BTKGAAKDM1AMAOB
SCHEMBL7587089 0.84 EPHX2 (0.40) EPHX1BTKGAAKDM1AMAOB
SCHEMBL22200809 0.84 BTK (0.46) EPHX1BTKGAAKDM1AMAOB
SCHEMBL22191307 0.84 BTK (0.46) EPHX1BTKGAAKDM1AMAOB
SCHEMBL13874220 0.82 DRD2 (0.45) EPHX1BTKGAAKDM1AMAOB
SCHEMBL4151538 0.82 DRD2 (0.45) EPHX1BTKGAAKDM1AMAOB
SCHEMBL10102977 0.82 BTK (0.43) EPHX1BTKGAAKDM1AMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020082420-A1 Bicyclic heterocycles, pharmaceutical compositions containing them, their use, and processes for preparing them BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-06-27 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-20020082420-A1 Bicyclic heterocycles, pharmaceutical compositions containing them, their use, and processes for preparing them PKD1, REN, CYP11B1 EPHX1 2458/4885BTK 1769/4885GAA 3337/4885

“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.