SCHEMBL6946437

SCHEMBL6946437

COC(=O)CCc1ccccc1OCCNC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 1/20 0.46
HRH1 P35367 2/20 0.41
GAA P10253 2/20 0.41
KDM4E B2RXH2 2/20 0.41
LTA4H P09960 1/20 0.39
MTNR1A P48039 2/20 0.39
MTNR1B P49286 2/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
LTB4R Q15722 1/20 0.38
LTB4R2 Q9NPC1 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL6940665 0.96 PPARD (0.47) PPARDHRH1KDM4EMTNR1AMTNR1B
SCHEMBL7132113 0.92 PPARD (0.43) PPARDHRH1GAAKDM4EMTNR1A
SCHEMBL7244829 0.89 PPARD (0.45) PPARDHRH1KDM4EMTNR1AMTNR1B
SCHEMBL9040716 0.78 KIF11 (0.50) KDM4ELTA4HALDH1A1LMNA
SCHEMBL3140786 0.78 PPARD (0.55) PPARDMTNR1AMTNR1BLTB4RLTB4R2
SCHEMBL31155848 0.78 PPARD (0.52) PPARDMTNR1AMTNR1BLMNANPSR1
SCHEMBL3266929 0.77 PPARD (0.54) PPARDLTB4RLTB4R2
SCHEMBL31155854 0.77 PPARD (0.54) PPARDLTB4RLTB4R2
SCHEMBL11324841 0.76 L3MBTL1 (0.59) PPARDKDM4EALDH1A1TDP1
SCHEMBL16427979 0.76 LMNA (0.49) KDM4EALDH1A1LMNA

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 5/4885GAA 4240/4885

“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.