SCHEMBL6154514

SCHEMBL6154514

O=C(O)C=Cc1ccccc1COCCN1CCCC1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.50
LTA4H P09960 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.45
KEAP1 Q14145 2/20 0.45
NFE2L2 Q16236 2/20 0.45
KDM4E B2RXH2 4/20 0.45
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
PTGER4 P35408 1/20 0.45
PTGER3 P43115 1/20 0.45
PTGER2 P43116 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HTT P42858 1/20 0.43
ACHE P22303 2/20 0.43
HSP90AA1 P07900 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL6154507 1.00 HRH1 (0.50) HRH1LTA4HL3MBTL1KEAP1NFE2L2
SCHEMBL6153236 0.89 ALDH1A1 (0.52) L3MBTL1KEAP1NFE2L2KDM4EALDH1A1
SCHEMBL6153240 0.89 ALDH1A1 (0.52) L3MBTL1KEAP1NFE2L2KDM4EALDH1A1
SCHEMBL7676826 0.82 HRH1 (0.48) HRH1LTA4HL3MBTL1KEAP1NFE2L2
SCHEMBL7676821 0.82 HRH1 (0.48) HRH1LTA4HL3MBTL1KEAP1NFE2L2
SCHEMBL6152322 0.75 LTA4H (0.51) LTA4HL3MBTL1KDM4EALDH1A1SMN1; SMN2
SCHEMBL6153061 0.73 KDM4E (0.49) KDM4EALDH1A1SMN1; SMN2PTGER4PTGER3
SCHEMBL6153064 0.73 KDM4E (0.49) KDM4EALDH1A1SMN1; SMN2PTGER4PTGER3
SCHEMBL6400429 0.73 KDM4E (0.55) HRH1L3MBTL1KDM4EALDH1A1SMN1; SMN2
SCHEMBL6548347 0.72 MAPT (0.49) KDM4EALDH1A1PTGER4PTGER3PTGER2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1307449-B1 1,4-DIHYDROPYRIDINES AS BRADYKININ ANTAGONISTS PFIZER PHARMA (JP) 2005-12-07 EP disclosed
US-6653313-B2 For treatment and prevention of inflammation, asthma, allergic rhinitis, pain and other disorders WARNER-LAMBERT COMPANY LLC 2003-11-25 US disclosed
EP-1307449-A1 1,4-DIHYDROPYRIDINES AS BRADYKININ ANTAGONISTS PFIZER PHARMACEUTICALS INC. (JP) 2003-05-07 EP disclosed
US-20020161006-A1 1,4-dihydropyridine compounds as bradykinin antagonists KAWAMURA MITSUHIRO (US) 2002-10-31 US disclosed
WO-2002012235-A1 1,4-DIHYDROPYRIDINES AS BRADYKININ ANTAGONISTS PFIZER PHARMACEUTICALS INC. (JP) 2002-02-14 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-20020161006-A1 1,4-dihydropyridine compounds as bradykinin antagonists BDKRB1, BDKRB2, HRH4 HRH1 5/4885LTA4H 143/4885L3MBTL1 3714/4885

“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.