SCHEMBL4077988

SCHEMBL4077988

[CH2]c1c(OC(F)(F)F)ccnc1OCC

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
LRRK2 Q5S007 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.33
SSTR1 P30872 2/20 0.31
SSTR4 P31391 2/20 0.31
HRH4 Q9H3N8 1/20 0.31
S1PR1 P21453 1/20 0.30
SLC6A2 P23975 1/20 0.30
ABL1 P00519 1/20 0.30
PGK1 P00558 1/20 0.30
PDE1A P54750 1/20 0.30
PDE1B Q01064 1/20 0.30
PDE1C Q14123 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
GRM5 P41594 1/20 0.30

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
SCHEMBL5208249 0.84 MPL (0.33) HPGDSMN1; SMN2SSTR1SSTR4
SCHEMBL4080883 0.83 SMN1; SMN2 (0.61) HPGDSMN1; SMN2LRRK2L3MBTL1S1PR1
SCHEMBL4077989 0.82 HPGD (0.49) HPGDSMN1; SMN2LRRK2L3MBTL1SSTR1
SCHEMBL4069880 0.77 HPGD (0.47) HPGDSMN1; SMN2LRRK2SLC6A2MEN1
SCHEMBL4072808 0.77 RUNX1 (0.37) SMN1; SMN2L3MBTL1MEN1KMT2A
SCHEMBL21669646 0.71 HPGD (0.37) HPGDSMN1; SMN2LRRK2SSTR1SSTR4
SCHEMBL5208254 0.70 DRD1 (0.37) HPGDSMN1; SMN2SSTR1SSTR4HRH4
SCHEMBL4082143 0.68 RUNX1 (0.35) HPGDSMN1; SMN2LRRK2L3MBTL1ABL1
SCHEMBL16961146 0.67 S1PR1 (0.39) HPGDL3MBTL1S1PR1MEN1KMT2A
SCHEMBL16957605 0.67 S1PR1 (0.39) HPGDL3MBTL1S1PR1MEN1KMT2A

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
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 HPGD 1816/4885SMN1; SMN2 3015/4885LRRK2 1619/4885
US-20080091034-A1 Substituted 4-amino-1-(pyridylmethyl)piperidine and related compounds CHRM5, CHRM1, CHRM3 HPGD 1006/4885SMN1; SMN2 3134/4885LRRK2 1460/4885

“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.