SCHEMBL4274174

SCHEMBL4274174

O=C(O)COc1ccc(Cl)cc1N1CCNCC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 1/20 0.60
HTR3B O95264 1/20 0.60
HTR3A P46098 1/20 0.60
HTR3D Q70Z44 1/20 0.60
HTR3C Q8WXA8 1/20 0.60
TDP1 Q9NUW8 2/20 0.55
MAPT P10636 1/20 0.51
TSHR P16473 2/20 0.50
PTGDR2 Q9Y5Y4 10/20 0.49
PTGDR Q13258 5/20 0.49
PTGER2 P43116 1/20 0.48
FFAR4 Q5NUL3 1/20 0.45
HTR6 P50406 1/20 0.45
HTR2C P28335 1/20 0.45
MCHR2 Q969V1 1/20 0.45
MCHR1 Q99705 1/20 0.45
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL7317422 0.81 HTR1A (0.65) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL1714185 0.80 PTGDR2 (0.70) MAPTTSHRPTGDR2LMNASMN1; SMN2
SCHEMBL4106882 0.80 PTGDR2 (0.67) MAPTPTGDR2PTGDR
SCHEMBL7255537 0.78 HTR3E (0.68) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL1715053 0.77 PTGDR2 (0.70) PTGDR2PTGDRSMN1; SMN2GAAHTT
SCHEMBL7832918 0.77 HTR3A (0.62) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL13800238 0.77 PTGDR2 (0.58) MAPTTSHRPTGDR2LMNASMN1; SMN2
SCHEMBL13800244 0.77 MEN1 (0.58) MAPTPTGDR2LMNASMN1; SMN2GAA
SCHEMBL13800250 0.77 PTGDR2 (0.56) MAPTPTGDR2LMNASMN1; SMN2GAA
SCHEMBL20151856 0.77 MGLL (0.61) TDP1MAPTPTGDR2

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
US-8524715-B2 Phenoxyacetic acid derivatives useful for treating respiratory diseases ASTRAZENECA AB (SE) 2013-09-03 US disclosed
US-20090149448-A1 Phenoxyacetic Acid Derivatives Useful for Treating Respiratory Diseases ASTRAZENECA AB (SE) 2009-06-11 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-20090149448-A1 Phenoxyacetic Acid Derivatives Useful for Treating Respiratory Diseases PAOX, PCCA, PAH HTR3E 694/4885HTR3B 925/4885HTR3A 316/4885

“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.