SCHEMBL4069718

SCHEMBL4069718

Cc1cnccc1OCC1CC1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.48
CHRNA4 P43681 1/20 0.48
CHRNB4 P30926 2/20 0.44
CHRNA3 P32297 2/20 0.44
SSTR4 P31391 1/20 0.44
PDE2A O00408 1/20 0.42
PDE10A Q9Y233 1/20 0.42
RIPK1 Q13546 1/20 0.41
CHUK O15111 3/20 0.41
IKBKB O14920 2/20 0.41
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
MELK Q14680 2/20 0.39
PDE4D Q08499 1/20 0.39
OPRL1 P41146 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GLA P06280 1/20 0.39

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
SCHEMBL27290465 0.95 CHRNB2 (0.48) CHRNB2CHRNA4CHRNB4CHRNA3SSTR4
SCHEMBL18133748 0.88 CHRNB2 (0.61) CHRNB2CHRNA4CHRNB4CHRNA3SSTR4
Ammonia Solution, Strong SCHEMBL28406800 0.86 CHRNB2 (0.59) CHRNB2CHRNA4CHRNB4CHRNA3SSTR4
SCHEMBL27290467 0.85 CHRNB2 (0.46) CHRNB2CHRNA4CHRNB4CHRNA3SSTR4
SCHEMBL27290473 0.85 ROCK2 (0.55) CHRNB2CHRNA4CHRNB4CHRNA3CHUK
Formic Acid SCHEMBL28012417 0.80 CHRNB2 (0.53) CHRNB2CHRNA4CHRNB4CHRNA3SSTR4
SCHEMBL27290493 0.80 SSTR4 (0.44) CHRNB2CHRNA4CHRNB4CHRNA3SSTR4
SCHEMBL530190 0.79 CHRNB4 (0.41) CHRNB2CHRNA4CHRNB4CHRNA3RIPK1
SCHEMBL15784059 0.79 CHRNB4 (0.41) CHRNB2CHRNA4CHRNB4CHRNA3CHUK
SCHEMBL4069716 0.79 CHRNB4 (0.41) CHRNB2CHRNA4CHRNB4CHRNA3RIPK1

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 6 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
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 (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 CHRNB2 46/4885CHRNA4 11/4885CHRNB4 28/4885
US-20080091034-A1 Substituted 4-amino-1-(pyridylmethyl)piperidine and related compounds CHRM5, CHRM1, CHRM3 CHRNB2 130/4885CHRNA4 42/4885CHRNB4 102/4885

“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.