SCHEMBL5208670

SCHEMBL5208670

Cc1c(OC(F)F)ccnc1OC(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.40
DRD1 P21728 5/20 0.36
GAA P10253 1/20 0.35
ATP1A1 P05023 3/20 0.34
ATP1B1 P05026 3/20 0.34
ATP1A3 P13637 3/20 0.34
ATP1B2 P14415 3/20 0.34
ATP4A P20648 3/20 0.34
ATP1A2 P50993 3/20 0.34
ATP4B P51164 3/20 0.34
ATP1B3 P54709 3/20 0.34
FXYD2 P54710 3/20 0.34
ATP1A4 Q13733 3/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
DRD5 P21918 1/20 0.33
LRRK2 Q5S007 1/20 0.33
HTR6 P50406 1/20 0.32
BACE1 P56817 2/20 0.32
RXRA P19793 2/20 0.31

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
SCHEMBL4076975 0.89 ATP4A (0.38) TRPV4DRD1GAAATP1A1ATP1B1
SCHEMBL4079859 0.89 ATP4A (0.40) TRPV4DRD1GAAATP1A1ATP1B1
SCHEMBL4069883 0.86 HPGD (0.49) TRPV4DRD1ATP1A1ATP1B1ATP1A3
SCHEMBL5208664 0.77 TRPV4 (0.40) TRPV4GAAHPGDSMN1; SMN2
SCHEMBL4079858 0.73 TRPV4 (0.37) TRPV4GAAATP1A1ATP1B1ATP1A3
SCHEMBL4076971 0.73 GRIN1 (0.34) TRPV4ATP1A1ATP1B1ATP1A3ATP1B2
SCHEMBL15923199 0.73 MBOAT4 (0.41) GAAATP1A1ATP1B1ATP1A3ATP1B2
SCHEMBL21603486 0.72 NOS2 (0.48) TRPV4DRD1LRRK2BACE1
SCHEMBL30992024 0.72 NOS2 (0.48) TRPV4DRD1LRRK2BACE1
SCHEMBL30296304 0.72 TRPV4 (0.39) TRPV4DRD1HPGDSMN1; SMN2LRRK2

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 204/4885DRD1 190/4885GAA 3358/4885

“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.