Sugi Predict

Sugi Predict / Compounds / SCHEMBL647517

SCHEMBL647517

SCHEMBL647517

CC(C)(C)OC(=O)N1CCC(C)(N2CCC(N[C@H]3CCCC[C@@H]3CC#N)CC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ JAK1 P23458 9/20 0.38
▸ CCR2 P41597 1/20 0.37
▸ KDM1A O60341 2/20 0.36
▸ JAK2 O60674 8/20 0.35
▸ THRB P10828 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ NSD2 O96028 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ EPHX2 P34913 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
SCHEMBL647333 0.94 EPHX1 (0.38) EPHX1ALDH1A1MEN1MAPTKMT2A
SCHEMBL1928972 0.89 EPHX1 (0.52) EPHX1ALDH1A1MEN1MAPTKMT2A
SCHEMBL7992688 0.88 EPHX1 (0.45) EPHX1ALDH1A1MAPTJAK1CCR2
SCHEMBL647008 0.86 EPHX1 (0.43) EPHX1ALDH1A1MAPTJAK1CCR2
SCHEMBL3654296 0.86 KDM1A (0.39) KDM1A
SCHEMBL13697328 0.82 EPHX1 (0.40) EPHX1ALDH1A1MAPTJAK1CCR2
SCHEMBL649749 0.82 EPHX1 (0.46) EPHX1ALDH1A1MAPTCCR2THRB
SCHEMBL649748 0.82 EPHX1 (0.46) EPHX1ALDH1A1MAPTCCR2THRB
SCHEMBL649843 0.82 EPHX1 (0.46) EPHX1ALDH1A1MAPTCCR2THRB
SCHEMBL649747 0.82 EPHX1 (0.46) EPHX1ALDH1A1MAPTCCR2THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119661-B2 Piperidine derivatives and their use as muscarinic receptor modulators ASTRAZENECA AB (SE) 2012-02-21 — — US disclosed
US-8119661-B2 Piperidine derivatives and their use as muscarinic receptor modulators ASTRAZENECA AB (SE) 2012-02-21 — — US disclosed
US-8119661-B2 Piperidine derivatives and their use as muscarinic receptor modulators ASTRAZENECA AB (SE) 2012-02-21 — — US disclosed
EP-2197843-B1 PIPERIDINE DERIVATIVES AS AGONISTS OF MUSCARINIC RECEPTORS ASTRAZENECA AB (SE) 2011-12-28 — — EP disclosed
EP-2197843-B1 PIPERIDINE DERIVATIVES AS AGONISTS OF MUSCARINIC RECEPTORS ASTRAZENECA AB (SE) 2011-12-28 — — EP disclosed
EP-2197843-A1 PIPERIDINE DERIVATIVES AS AGONISTS OF MUSCARINIC RECEPTORS AstraZeneca AB (SE) 2010-06-23 — — EP disclosed
WO-2009034380-A1 PIPERIDINE DERIVATIVES AS AGONISTS OF MUSCARINIC RECEPTORS ASTRAZENECA AB (SE) 2009-03-19 — — WO disclosed
US-20090076078-A1 New compounds 966 ASTRAZENECA AB (SE) 2009-03-19 — — US disclosed
US-20090076078-A1 New compounds 966 ASTRAZENECA AB (SE) 2009-03-19 — — US disclosed
US-20090076078-A1 New compounds 966 ASTRAZENECA AB (SE) 2009-03-19 — — 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-20090076078-A1 New compounds 966 OPRM1, OPRL1, OPRK1 EPHX1 1797/4885ALDH1A1 1484/4885MEN1 2508/4885

“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.