SCHEMBL4079147

SCHEMBL4079147

CCOc1ccncc1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA9 Q16790 1/20 0.54
CA14 Q9ULX7 1/20 0.54
S1PR1 P21453 5/20 0.46
S1PR3 Q99500 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.44
HPGD P15428 1/20 0.44
AOC3 Q16853 2/20 0.42
ALDH1A1 P00352 2/20 0.42
KMT2A Q03164 2/20 0.42
ALPL P05186 2/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
GRM5 P41594 1/20 0.39
SSTR4 P31391 1/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM4C Q9H3R0 1/20 0.38

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
SCHEMBL4070510 0.84 PDE5A (0.40) CA12CA1CA2CA9CA14
SCHEMBL14424010 0.83 CA12 (0.50) CA12CA1CA2CA9CA14
SCHEMBL3819637 0.83 CA12 (0.58) CA12CA1CA2CA9CA14
SCHEMBL12877969 0.82 CYP2D6 (0.49) CA12CA1CA2CA9CA14
SCHEMBL4074485 0.79 LOX (0.42) CA12CA1CA2CA9CA14
SCHEMBL4069875 0.79 ALDH1A1 (0.40) CA12CA1CA2CA9CA14
SCHEMBL27290458 0.79 CYP17A1 (0.43) CA12CA1CA2CA9CA14
SCHEMBL4079144 0.78 CA12 (0.53) CA12CA1CA2CA9CA14
SCHEMBL22193248 0.78 CA12 (0.57) CA12CA1CA2CA9CA14
SCHEMBL29911950 0.78 CA12 (0.53) CA12CA1CA2CA9CA14

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
CN-114877069-B Metal-coated gasket filled with modified ceramic fibers and preparation method thereof 慈溪埃弗龙密封件有限公司 2025-01-28 CN disclosed
WO-2023107547-A2 AZETIDINE AND SPIROAZETIDINE COMPOUNDS AND USES THEREOF Kineta, Inc. (US) 2023-06-15 WO disclosed
CN-114877069-A Modified ceramic fiber filled metal-coated gasket and preparation method thereof 慈溪埃弗龙密封件有限公司 2022-08-09 CN disclosed
US-8207179-B2 Substituted indolines as tyrosine kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-26 US disclosed
US-20100222331-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 US 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
US-7285564-B2 Substituted 4-amino-1-(pyridylmethyl)piperidine and related compounds THERAVANCE, INC. (US) 2007-10-23 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 (3 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 CA12 4826/4885CA1 3622/4885CA2 3153/4885
US-20080091034-A1 Substituted 4-amino-1-(pyridylmethyl)piperidine and related compounds CHRM5, CHRM1, CHRM3 CA12 4566/4885CA1 3889/4885CA2 1653/4885
US-20100222331-A1 NEW COMPOUNDS CCNA1, CCNY, MKI67 CA12 3238/4885CA1 4059/4885CA2 2737/4885

“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.