SCHEMBL6152831

SCHEMBL6152831

COC(=O)CC1=C(C(=O)O)C(C)(c2c(Cl)cccc2Cl)C(C(=O)O)=C(CCc2ccccc2CCCN(C)C)N1C

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 3/20 0.35
KDM4E B2RXH2 2/20 0.34
SLC6A4 P31645 2/20 0.33
TAAR1 Q96RJ0 1/20 0.33
HTR6 P50406 1/20 0.32
METAP2 P50579 1/20 0.31
P2RX7 Q99572 1/20 0.31
SLC16A3 O15427 1/20 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
SCHEMBL6152588 0.83 P2RX7 (0.32) KDM4EP2RX7
SCHEMBL6152317 0.83 KDM4E (0.34) KDM4EP2RX7
SCHEMBL6152550 0.80 TDP1 (0.31) P2RX7
SCHEMBL6151956 0.78
SCHEMBL6152925 0.78 L3MBTL1 (0.31)
SCHEMBL7252522 0.78 SLC16A3 (0.34) SLC16A3
SCHEMBL7240668 0.77 HRH1 (0.34) HRH1KDM4EP2RX7
SCHEMBL8535870 0.75 KMT2A (0.35) KDM4E
SCHEMBL6152458 0.69 SLC6A4 (0.35) KDM4ESLC6A4TAAR1HTR6
SCHEMBL6152968 0.65 SLC6A4 (0.35) KDM4ESLC6A4TAAR1HTR6

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
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
US-20020161006-A1 1,4-dihydropyridine compounds as bradykinin antagonists KAWAMURA MITSUHIRO (US) 2002-10-31 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-20020161006-A1 1,4-dihydropyridine compounds as bradykinin antagonists BDKRB1, BDKRB2, HRH4 HRH1 5/4885KDM4E 1330/4885SLC6A4 2756/4885

“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.