SCHEMBL5208664

SCHEMBL5208664

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

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.31
HPGD P15428 1/20 0.31
ROCK1 Q13464 1/20 0.30
GAA P10253 2/20 0.30
ADRA1A P35348 1/20 0.30
PDE4A P27815 1/20 0.30
MAPT P10636 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
SCHEMBL4076971 0.87 GRIN1 (0.34) TRPV4SMN1; SMN2HPGDPDE4A
SCHEMBL4079858 0.87 TRPV4 (0.37) TRPV4SMN1; SMN2HPGDGAAADRA1A
SCHEMBL4069880 0.84 HPGD (0.47) TRPV4SMN1; SMN2HPGDPDE4A
SCHEMBL5208670 0.77 TRPV4 (0.40) TRPV4SMN1; SMN2HPGDGAA
SCHEMBL4079859 0.70 ATP4A (0.40) TRPV4GAAMAPT
SCHEMBL4076975 0.70 ATP4A (0.38) TRPV4SMN1; SMN2HPGDGAA
SCHEMBL4847783 0.70 ALDH1A1 (0.40) SMN1; SMN2GAAPDE4AMAPT
SCHEMBL4069883 0.68 HPGD (0.49) TRPV4SMN1; SMN2HPGDPDE4A
SCHEMBL1877935 0.67 NOS3 (0.42) TRPV4SMN1; SMN2ROCK1ADRA1AMAPT
SCHEMBL4072241 0.67 KDM4E (0.36) GAAPDE4AMAPT

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 TRPV4 204/4885SMN1; SMN2 3015/4885HPGD 1816/4885

“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.