SCHEMBL6152588

SCHEMBL6152588

COC(=O)CC1=C(C(=O)O)C(C)(c2c(Cl)cccc2Cl)C(C(=O)O)=C(CCc2ccccc2C=O)N1C

nearest known ligand 0.32

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.32
HSP90AA1 P07900 2/20 0.31
KMT2A Q03164 4/20 0.31
MEN1 O00255 3/20 0.31
ALDH1A1 P00352 3/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
USP2 O75604 1/20 0.30
LMNA P02545 1/20 0.30
TTR P02766 1/20 0.30
CYP2C9 P11712 1/20 0.30
TBXA2R P21731 1/20 0.30
MAPK1 P28482 1/20 0.30
MAOB P27338 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL6152831 0.83 HRH1 (0.35) P2RX7KDM4E
SCHEMBL6152550 0.81 TDP1 (0.31) P2RX7
SCHEMBL6151956 0.80
SCHEMBL7252522 0.79 SLC16A3 (0.34)
SCHEMBL6152317 0.79 KDM4E (0.34) P2RX7KMT2AMEN1ALDH1A1KDM4E
SCHEMBL7240668 0.78 HRH1 (0.34) P2RX7KMT2AMEN1ALDH1A1NPC1
SCHEMBL8535870 0.77 KMT2A (0.35) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL6152925 0.74 L3MBTL1 (0.31)
SCHEMBL7251375 0.73 ALDH1A1 (0.31) ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL6152821 0.71 KMT2A (0.31) KMT2AMEN1ALDH1A1KDM4EMAPT

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 P2RX7 227/4885HSP90AA1 1402/4885KMT2A 1890/4885

“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.