SCHEMBL5208249

SCHEMBL5208249

[CH2]c1c(OC(F)(F)F)ccnc1OC(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MPL P40238 1/20 0.33
KMO O15229 1/20 0.31
SCN9A Q15858 2/20 0.31
SLC40A1 Q9NP59 1/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HCAR1 Q9BXC0 1/20 0.31
SSTR4 P31391 2/20 0.30
SSTR1 P30872 1/20 0.30
RXRA P19793 1/20 0.30
RXRB P28702 1/20 0.30
RXRG P48443 1/20 0.30
AURKA O14965 1/20 0.30
DYRK1A Q13627 1/20 0.30
DRD1 P21728 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
SCHEMBL4072808 0.87 RUNX1 (0.37) SMN1; SMN2
SCHEMBL5208254 0.77 DRD1 (0.37) MPLKMOSCN9AHPGDSMN1; SMN2
SCHEMBL1044967 0.74 KDM4E (0.39) MPLSCN9ARXRARXRBRXRG
SCHEMBL4072811 0.70 ALDH1A1 (0.38) DRD1
SCHEMBL4082143 0.70 RUNX1 (0.35) HPGDSMN1; SMN2DRD1
SCHEMBL26617151 0.68 MPL (0.37) MPLSCN9A
SCHEMBL4077989 0.68 HPGD (0.49) HPGDSMN1; SMN2SSTR4SSTR1DRD1
SCHEMBL21669646 0.67 HPGD (0.37) HPGDSMN1; SMN2SSTR4SSTR1
SCHEMBL16289752 0.67 GPR3 (0.40) SCN9ASMN1; SMN2DYRK1A
SCHEMBL4076043 0.67 EGFR (0.34) SCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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 MPL 500/4885KMO 132/4885SCN9A 1169/4885

“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.