Sugi Predict

Sugi Predict / Compounds / SCHEMBL4074482

SCHEMBL4074482

SCHEMBL4074482

[CH2]c1cnccc1OCCO

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LOX P28300 2/20 0.42
▸ AOC3 Q16853 2/20 0.42
▸ GSK3A P49840 1/20 0.38
▸ GSK3B P49841 1/20 0.38
▸ IDO1 P14902 1/20 0.36
▸ ATR Q13535 1/20 0.36
▸ PDE5A O76074 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ TNF P01375 1/20 0.33
▸ GCK P35557 1/20 0.33
▸ LATS1 O95835 1/20 0.33
▸ KCNA3 P22001 1/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ CA14 Q9ULX7 1/20 0.33
▸ RPS6KA3 P51812 1/20 0.32
▸ BUB1 O43683 1/20 0.32

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
SCHEMBL4070507 0.81 PDE5A (0.39) PDE5AALDH1A1CA12CA1CA2
SCHEMBL4074485 0.78 LOX (0.42) LOXAOC3GSK3AGSK3BIDO1
SCHEMBL15778646 0.78 AOC3 (0.46) LOXAOC3GSK3AGSK3BIDO1
SCHEMBL4079144 0.77 CA12 (0.53) AOC3ALDH1A1CA12CA1CA2
SCHEMBL14682168 0.75 ALDH1A1 (0.43) LOXAOC3GSK3AGSK3BIDO1
SCHEMBL31637952 0.74 LOX (0.46) LOXAOC3GSK3AGSK3BIDO1
SCHEMBL26627008 0.74 GCK (0.47) LOXAOC3GSK3AGSK3BIDO1
SCHEMBL4069716 0.73 CHRNB4 (0.41) GSK3AGSK3BPDE5A
SCHEMBL4069873 0.73 ALDH1A1 (0.39) PDE5AALDH1A1CA12CA1CA2
SCHEMBL31208531 0.73 SIRT3 (0.49) LOXAOC3GSK3AGSK3BATR

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-7572918-B2 Prepared in high yield and high purity without the need for isolation of intermediates and chromatographic purification; useful as muscarinic receptor antagonists; 4-{N-[7-(3-(S)-1-carbamoyl-1,1-diphenylmethyl)-pyrrolidin-1-yl)-hept-1-yl]-N-(isopropyl)amino}-1-(4-methoxypyrid-3-ylmethyl)-piperidine THERAVANCE, INC. (US) 2009-08-11 — — US disclosed
US-20080091034-A1 Substituted 4-amino-1-(pyridylmethyl)piperidine and related compounds THERAVANCE, INC. 2008-04-17 — — US disclosed
EP-1556372-B1 SUBSTITUTED 4-AMINO-1-(PYRIDYLMETHYL) PIPERIDINE AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE INC (US) 2007-05-30 — — EP disclosed
US-20060094878-A1 Process for preparing substituted 4-amino-1-(pyridylmethyl)piperidine and related compounds THERAVANCE, INC. 2006-05-04 — — 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 (2 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-20060094878-A1 Process for preparing substituted 4-amino-1-(pyridylmethyl)piperidine and related compounds CHRM4, CHRM3, CHRM1 LOX 752/4885AOC3 1519/4885GSK3A 3786/4885
US-20080091034-A1 Substituted 4-amino-1-(pyridylmethyl)piperidine and related compounds CHRM5, CHRM1, CHRM3 LOX 1497/4885AOC3 1387/4885GSK3A 3571/4885

“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.