Sugi Predict

Sugi Predict / Compounds / SCHEMBL647008

SCHEMBL647008

SCHEMBL647008

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 1/20 0.43
▸ CCR2 P41597 1/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ THRB P10828 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ HPGD P15428 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ EPHX2 P34913 2/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ CCR5 P51681 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ DDB1 Q16531 1/20 0.34
▸ CRBN Q96SW2 1/20 0.34
▸ GPR119 Q8TDV5 1/20 0.33
▸ TSHR P16473 1/20 0.33

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
SCHEMBL647091 0.94 EPHX1 (0.39) EPHX1CCR2L3MBTL1THRBATM
SCHEMBL7992688 0.90 EPHX1 (0.45) EPHX1CCR2L3MBTL1THRBATM
SCHEMBL1929266 0.88 EPHX1 (0.54) EPHX1L3MBTL1THRBATMHPGD
SCHEMBL647517 0.86 EPHX1 (0.42) EPHX1CCR2L3MBTL1THRBATM
SCHEMBL13697328 0.84 EPHX1 (0.40) EPHX1CCR2L3MBTL1THRBATM
SCHEMBL649749 0.83 EPHX1 (0.46) EPHX1CCR2L3MBTL1THRBATM
SCHEMBL649747 0.83 EPHX1 (0.46) EPHX1CCR2L3MBTL1THRBATM
SCHEMBL649843 0.83 EPHX1 (0.46) EPHX1CCR2L3MBTL1THRBATM
SCHEMBL649748 0.83 EPHX1 (0.46) EPHX1CCR2L3MBTL1THRBATM
SCHEMBL646898 0.83 EPHX1 (0.46) EPHX1CCR2L3MBTL1THRBATM

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 1797/4885CCR2 723/4885L3MBTL1 1816/4885

“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.