SCHEMBL7587089

SCHEMBL7587089

COC(=O)CCCN(C)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.40
BTK Q06187 1/20 0.39
GAA P10253 2/20 0.39
KDM1A O60341 1/20 0.38
MAOB P27338 1/20 0.38
EPHX1 P07099 1/20 0.38
CTSK P43235 2/20 0.37
DRD2 P14416 2/20 0.36
REN P00797 1/20 0.36
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL7587093 1.00 EPHX2 (0.40) EPHX2BTKGAAKDM1AMAOB
SCHEMBL7585234 0.92 BTK (0.41) EPHX2BTKGAAKDM1AMAOB
SCHEMBL7585222 0.92 BTK (0.41) EPHX2BTKGAAKDM1AMAOB
SCHEMBL7581840 0.84 EPHX1 (0.44) EPHX2BTKGAAKDM1AMAOB
SCHEMBL7581831 0.84 EPHX1 (0.44) EPHX2BTKGAAKDM1AMAOB
SCHEMBL10102977 0.83 BTK (0.43) BTKGAAKDM1AMAOBEPHX1
SCHEMBL22191307 0.80 BTK (0.46) BTKGAAKDM1AMAOBEPHX1
SCHEMBL22200809 0.80 BTK (0.46) BTKGAAKDM1AMAOBEPHX1
SCHEMBL18502940 0.79 BTK (0.40) BTKGAAKDM1AMAOBEPHX1
SCHEMBL13874220 0.78 DRD2 (0.45) BTKGAAKDM1AMAOBEPHX1

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 3 patents. 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
EP-1163242-A2 BICYCLIC HETEROCYCLES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESSES FOR PREPARING THEM Boehringer Ingelheim Pharma KG (DE) 2001-12-19 EP disclosed
WO-2000055162-A2 BICYCLIC HETEROCYCLES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESSES FOR PREPARING THEM BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-09-21 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-20020082420-A1 Bicyclic heterocycles, pharmaceutical compositions containing them, their use, and processes for preparing them PKD1, REN, CYP11B1 EPHX2 2362/4885BTK 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.