SCHEMBL7585222

SCHEMBL7585222

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

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.41
KDM1A O60341 1/20 0.39
MAOB P27338 1/20 0.39
EPHX1 P07099 1/20 0.39
CTSK P43235 2/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
DRD2 P14416 4/20 0.38
GAA P10253 1/20 0.37
EPHX2 P34913 2/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KCNA3 P22001 1/20 0.35
DRD3 P35462 1/20 0.35
REN P00797 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
SCHEMBL7585234 1.00 BTK (0.41) BTKKDM1AMAOBEPHX1CTSK
SCHEMBL7587093 0.92 EPHX2 (0.40) BTKKDM1AMAOBEPHX1CTSK
SCHEMBL7587089 0.92 EPHX2 (0.40) BTKKDM1AMAOBEPHX1CTSK
SCHEMBL7581831 0.86 EPHX1 (0.44) BTKKDM1AMAOBEPHX1CTSK
SCHEMBL7581840 0.86 EPHX1 (0.44) BTKKDM1AMAOBEPHX1CTSK
SCHEMBL10102977 0.85 BTK (0.43) BTKKDM1AMAOBEPHX1CTSK
SCHEMBL22191307 0.82 BTK (0.46) BTKKDM1AMAOBEPHX1CTSK
SCHEMBL22200809 0.82 BTK (0.46) BTKKDM1AMAOBEPHX1CTSK
SCHEMBL21089310 0.81 EPHX2 (0.33) BTKKDM1AMAOBEPHX1KMT2A
SCHEMBL18502940 0.81 BTK (0.40) BTKKDM1AMAOBEPHX1CTSK

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 BTK 1769/4885KDM1A 3903/4885MAOB 1019/4885

“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.