SCHEMBL5778326

SCHEMBL5778326

[CH2]N(OC)c1ccccn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.44
CYP2C19 P33261 3/20 0.44
ALDH1A1 P00352 3/20 0.39
LMNA P02545 3/20 0.39
CHRM2 P08172 3/20 0.39
ADRA2A P08913 3/20 0.39
DRD1 P21728 3/20 0.39
SLC6A4 P31645 3/20 0.39
SLC6A3 Q01959 3/20 0.39
KCNH2 Q12809 3/20 0.39
CYP1A2 P05177 3/20 0.39
HTR2A P28223 2/20 0.39
HRH1 P35367 2/20 0.39
TSHR P16473 2/20 0.39
OPRM1 P35372 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
CYP3A4 P08684 1/20 0.39
HTR1A P08908 1/20 0.39
HTR2C P28335 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
SCHEMBL10605561 0.78 CYP2D6 (0.47) CYP2D6CYP2C19ALDH1A1LMNACHRM2
SCHEMBL14908515 0.77 CYP2D6 (0.50) CYP2D6CYP2C19ALDH1A1LMNACHRM2
SCHEMBL1630012 0.76
SCHEMBL9215634 0.75 CYP2D6 (0.47) CYP2D6CYP2C19ALDH1A1LMNACHRM2
SCHEMBL7752758 0.72 CYP2D6 (0.46) CYP2D6CYP2C19ALDH1A1LMNACHRM2
SCHEMBL13966626 0.72 CYP2D6 (0.42) CYP2D6CYP2C19ALDH1A1LMNACHRM2
SCHEMBL3589102 0.71 CYP2D6 (0.48) CYP2D6CYP2C19ALDH1A1LMNACHRM2
SCHEMBL1186136 0.71 CYP2D6 (0.41) CYP2D6CYP2C19ALDH1A1LMNACHRM2
SCHEMBL29635663 0.70
SCHEMBL364 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060223868-A1 Heterocyclic amides exhibiting and inhibitory activity at the vanilloid receptor 1(vr1) ASTRAZENECA AB (SE) 2006-10-05 US disclosed
EP-1622884-A1 NEW HETEROCYCLIC AMIDES EXHIBITING AN INHIBITORY ACTIVITY AT THE VANILLOID RECEPTOR 1 (VR1). AstraZeneca AB (SE) 2006-02-08 EP disclosed
WO-2004096784-A1 NEW HETEROCYCLIC AMIDES EXHIBITING AN INHIBITORY ACTIVITY AT THE VANILLOID RECEPTOR 1 (VR1). ASTRAZENECA AB (SE) 2004-11-11 WO 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-20060223868-A1 Heterocyclic amides exhibiting and inhibitory activity at the vanilloid receptor 1(vr1) AVPR1A, AVPR2, TRPV1 CYP2D6 668/4885CYP2C19 594/4885ALDH1A1 726/4885

“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.