SCHEMBL6940665

SCHEMBL6940665

COC(=O)CCc1ccccc1OCCCNC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 1/20 0.47
HRH1 P35367 2/20 0.43
KDM4E B2RXH2 1/20 0.42
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
LTB4R Q15722 1/20 0.40
LTB4R2 Q9NPC1 1/20 0.40

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
SCHEMBL6946437 0.96 PPARD (0.46) PPARDHRH1KDM4EMTNR1AMTNR1B
SCHEMBL7244829 0.92 PPARD (0.45) PPARDHRH1KDM4EMTNR1AMTNR1B
SCHEMBL7132113 0.88 PPARD (0.43) PPARDHRH1KDM4EMTNR1AMTNR1B
SCHEMBL16427979 0.80 LMNA (0.49) KDM4E
SCHEMBL3140786 0.79 PPARD (0.55) PPARDMTNR1AMTNR1BLTB4RLTB4R2
SCHEMBL31155854 0.78 PPARD (0.54) PPARDLTB4RLTB4R2
SCHEMBL3266929 0.78 PPARD (0.54) PPARDLTB4RLTB4R2
SCHEMBL9040716 0.77 KIF11 (0.50) KDM4E
SCHEMBL6153063 0.77 NPSR1 (0.35) KDM4EMTNR1AMTNR1B
SCHEMBL9122500 0.77 PPARD (0.53) PPARDLTB4RLTB4R2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 PPARD 4092/4885HRH1 5/4885KDM4E 1330/4885

“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.