SCHEMBL4074485

SCHEMBL4074485

Cc1cnccc1OCCO

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOX P28300 1/20 0.42
AOC3 Q16853 1/20 0.42
GCK P35557 1/20 0.40
SSTR4 P31391 1/20 0.40
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
MAPT P10636 2/20 0.38
ALDH1A1 P00352 2/20 0.37
PIK3C3 Q8NEB9 1/20 0.36
IDO1 P14902 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
ATR Q13535 1/20 0.36
NOTUM Q6P988 4/20 0.35
RECQL P46063 1/20 0.35
LMNA P02545 1/20 0.35
TLR8 Q9NR97 1/20 0.35

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
SCHEMBL27290460 0.91 LOX (0.40) LOXAOC3GCKSSTR4MAPT
SCHEMBL26627008 0.85 GCK (0.47) LOXAOC3GCKSSTR4GSK3A
SCHEMBL4070510 0.83 PDE5A (0.40) SSTR4MAPTALDH1A1CA12CA1
SCHEMBL12877969 0.81 CYP2D6 (0.49) GSK3BMAPTALDH1A1CA12CA1
SCHEMBL27290458 0.81 CYP17A1 (0.43) SSTR4MAPTCA12CA1CA2
SCHEMBL27857265 0.80 CYP17A1 (0.36) SSTR4MAPTALDH1A1CA12CA1
Hydrochloric Acid SCHEMBL28832301 0.79 ALDH1A1 (0.37) SSTR4MAPTALDH1A1CA12CA1
SCHEMBL4079147 0.79 CA12 (0.54) AOC3SSTR4ALDH1A1CA12CA1
SCHEMBL4074482 0.78 LOX (0.42) LOXAOC3GCKGSK3AGSK3B
SCHEMBL15778646 0.78 AOC3 (0.46) LOXAOC3GCKGSK3AGSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024105364-A1 HETEROCYCLIC INHIBITORS OF CDC-LIKE KINASES CURADEV PHARMA LTD (GB) 2024-05-23 WO disclosed
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 1519/4885GCK 3245/4885
US-20080091034-A1 Substituted 4-amino-1-(pyridylmethyl)piperidine and related compounds CHRM5, CHRM1, CHRM3 LOX 1497/4885AOC3 1387/4885GCK 4334/4885

“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.