SCHEMBL6152968

SCHEMBL6152968

COC(=O)C1=C(CCc2ccccc2CCCN(C)C)NC(CC(=O)O)=C(C(=O)OC)C1c1c(Cl)cccc1Cl

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.35
ADRA1A P35348 4/20 0.34
MEN1 O00255 3/20 0.34
CYP2C9 P11712 3/20 0.34
KMT2A Q03164 3/20 0.34
TBXA2R P21731 3/20 0.34
SLC6A3 Q01959 3/20 0.34
ABCB11 O95342 3/20 0.34
KDM4E B2RXH2 3/20 0.34
HSD17B10 Q99714 3/20 0.34
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C19 P33261 2/20 0.34
HIF1A Q16665 2/20 0.34
ABCB1 P08183 2/20 0.34
ADORA3 P0DMS8 2/20 0.34
ADRB3 P13945 2/20 0.34
OPRK1 P41145 2/20 0.34
SCN5A Q14524 2/20 0.34
NR1H4 Q96RI1 2/20 0.34

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
SCHEMBL6152458 0.93 SLC6A4 (0.35) SLC6A4ADRA1AMEN1CYP2C9KMT2A
SCHEMBL6152944 0.88 ADRA1A (0.36) ADRA1AMEN1CYP2C9KMT2ATBXA2R
SCHEMBL6153142 0.84 CYP2C9 (0.37) ADRA1AMEN1CYP2C9KMT2ATBXA2R
SCHEMBL7241116 0.81 KDM4E (0.41) ADRA1ATBXA2RSLC6A3ABCB11KDM4E
SCHEMBL6154618 0.80 KDM4E (0.36) ADRA1AMEN1CYP2C9KMT2ATBXA2R
SCHEMBL6946460 0.79 PTGS2 (0.39) ADRA1AMEN1CYP2C9KMT2ATBXA2R
SCHEMBL7132448 0.79 CXCL8 (0.34) ADRA1AMEN1CYP2C9KMT2ATBXA2R
SCHEMBL6154503 0.78 TBXA2R (0.36) ADRA1AMEN1CYP2C9KMT2ATBXA2R
SCHEMBL6938668 0.78 PTGS2 (0.38) ADRA1AMEN1CYP2C9KMT2ATBXA2R
SCHEMBL6154669 0.78 MEN1 (0.36) ADRA1AMEN1CYP2C9KMT2ATBXA2R

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 SLC6A4 2756/4885ADRA1A 22/4885MEN1 2435/4885

“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.