SCHEMBL2201081

SCHEMBL2201081

CC(C)(C)OC(=O)N1CCC(CCC#N)(CCC#N)CC1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
USP2 O75604 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CTSK P43235 1/20 0.43
JAK2 O60674 9/20 0.40
JAK1 P23458 9/20 0.40
GPR119 Q8TDV5 1/20 0.39
HPGD P15428 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
SCHEMBL18669351 0.88 MEN1 (0.44) MEN1ALDH1A1MAPTKMT2AUSP2
SCHEMBL15171022 0.85 MEN1 (0.41) MEN1ALDH1A1MAPTKMT2AUSP2
SCHEMBL2202517 0.84 GPR119 (0.36) MEN1ALDH1A1MAPTKMT2AJAK2
SCHEMBL22958842 0.82 PKM (0.45) MEN1ALDH1A1MAPTKMT2AUSP2
SCHEMBL2204005 0.81 USP2 (0.49) MAPTUSP2SMN1; SMN2GPR119HPGD
SCHEMBL19331856 0.81 ALDH1A1 (0.40) MEN1ALDH1A1MAPTKMT2AUSP2
SCHEMBL16987073 0.81 JAK2 (0.44) MEN1ALDH1A1MAPTKMT2AUSP2
SCHEMBL345355 0.81 JAK2 (0.44) MEN1ALDH1A1MAPTKMT2AUSP2
SCHEMBL2142330 0.81 JAK2 (0.45) MEN1ALDH1A1MAPTKMT2AUSP2
SCHEMBL2025632 0.80 MEN1 (0.41) MEN1ALDH1A1MAPTKMT2AUSP2

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
US-8278319-B2 Substituted spiroamine compounds GRUENENTHAL GMBH (DE) 2012-10-02 US disclosed
EP-2344457-A1 SUBSTITUTED SPIROAMINES Grünenthal GmbH (DE) 2011-07-20 EP disclosed
US-20100113417-A1 Substituted Spiroamine Compounds GRUENENTHAL GMBH (DE) 2010-05-06 US disclosed
WO-2010049146-A1 SUBSTITUTED SPIROAMINES Grünenthal GmbH (DE) 2010-05-06 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-20100113417-A1 Substituted Spiroamine Compounds BDKRB1, BDKRB2, REN MEN1 346/4885ALDH1A1 1709/4885MAPT 2995/4885

“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.