Sugi Predict

Sugi Predict / Compounds / SCHEMBL649367

SCHEMBL649367

SCHEMBL649367

CCOC(=O)N1CCC(C)(N2CCC(N[C@H]3CCCC[C@@H]3N)CC2)C1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.48
▸ ATM Q13315 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ ALDH1A1 P00352 2/20 0.36
▸ OPRK1 P41145 3/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ KDM1A O60341 2/20 0.35
▸ GAA P10253 2/20 0.34
▸ CASP6 P55212 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ CCR5 P51681 1/20 0.33
▸ OPRD1 P41143 1/20 0.33
▸ OPRM1 P35372 1/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ SMN1; SMN2 Q16637 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
SCHEMBL10092900 1.00 THRB (0.48) THRBATML3MBTL1ALDH1A1OPRK1
SCHEMBL647087 0.94 THRB (0.53) THRBATML3MBTL1ALDH1A1OPRK1
SCHEMBL648676 0.86 EPHX1 (0.42) THRBATML3MBTL1ALDH1A1HPGD
SCHEMBL649381 0.86 EPHX1 (0.42) THRBATML3MBTL1ALDH1A1HPGD
SCHEMBL10092902 0.83 USP2 (0.39) THRBATML3MBTL1ALDH1A1KDM1A
SCHEMBL3654749 0.81 CCR5 (0.39) THRBATML3MBTL1KDM1ACCR5
SCHEMBL3648961 0.81 CCR5 (0.39) THRBATML3MBTL1KDM1ACCR5
SCHEMBL3648960 0.81 CCR5 (0.39) THRBATML3MBTL1KDM1ACCR5
SCHEMBL3648964 0.81 CCR5 (0.39) THRBATML3MBTL1KDM1ACCR5
SCHEMBL3653175 0.81 CCR5 (0.39) THRBATML3MBTL1KDM1ACCR5

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 THRB 2121/4885ATM 2941/4885L3MBTL1 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.