SCHEMBL6974302

SCHEMBL6974302

O=C(O)C(=Cc1c(Cl)cccc1Cl)C(=O)CCc1ncco1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 5/20 0.35
CES1 P23141 4/20 0.35
NCEH1 Q6PIU2 1/20 0.35
HDAC3 O15379 4/20 0.32
HDAC4 P56524 4/20 0.32
HDAC1 Q13547 4/20 0.32
HDAC7 Q8WUI4 4/20 0.32
HDAC2 Q92769 4/20 0.32
HDAC10 Q969S8 4/20 0.32
HDAC11 Q96DB2 4/20 0.32
HDAC8 Q9BY41 4/20 0.32
HDAC6 Q9UBN7 4/20 0.32
HDAC9 Q9UKV0 4/20 0.32
HDAC5 Q9UQL6 4/20 0.32
HPGD P15428 2/20 0.32
RAB9A P51151 2/20 0.32
NPC1 O15118 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
FEN1 P39748 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
SCHEMBL6974298 1.00 FAAH (0.35) FAAHCES1NCEH1HDAC3HDAC4
SCHEMBL7247982 0.71 NPSR1 (0.34) RAB9ANPC1HTT
SCHEMBL1650355 0.68 RXRA (0.41) FAAHCES1NCEH1HPGDRXRA
SCHEMBL7836234 0.64 MEN1 (0.45) HPGDRAB9ASMN1; SMN2
SCHEMBL7836232 0.64 MEN1 (0.45) HPGDRAB9ASMN1; SMN2
SCHEMBL6975399 0.64 ALDH1A1 (0.36) HPGDRAB9ASMN1; SMN2
SCHEMBL3169810 0.64 NR4A2 (0.40) FAAHCES1NCEH1HDAC3HDAC4
SCHEMBL8708146 0.62 ALDH1A1 (0.43) FAAHCES1NCEH1HDAC3HDAC4
SCHEMBL12530301 0.61 IAPP (0.40) FAAHCES1NCEH1HDAC3HDAC4
SCHEMBL6069946 0.60 FAAH (0.49) FAAHCES1NCEH1HDAC3HDAC4

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-20030176445-A1 Substituted 1,4-dihydropyridine compounds as bradykinin antagonists PFIZER INC. 2003-09-18 US disclosed
EP-1106615-B1 Substituted 1,4-dihydropyridine compounds as bradykinin antagonists PFIZER (US) 2003-03-05 EP disclosed
US-20020042421-A1 Substituted 1,4-dihydropyridine compounds as bradykinin antagonists OKUMURA YOSHIYUKI (JP) 2002-04-11 US disclosed
EP-1106615-A1 Substituted 1,4-dihydropyridine compounds as bradykinin antagonists PFIZER INC. (US) 2001-06-13 EP 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 (2 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-20030176445-A1 Substituted 1,4-dihydropyridine compounds as bradykinin antagonists BDKRB1, BDKRB2, HRH4 FAAH 323/4885CES1 1986/4885NCEH1 1854/4885
US-20020042421-A1 Substituted 1,4-dihydropyridine compounds as bradykinin antagonists BDKRB1, BDKRB2, HRH4 FAAH 237/4885CES1 2196/4885NCEH1 1707/4885

“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.