SCHEMBL6975504

SCHEMBL6975504

COC(=O)CC(=O)CCc1ncco1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2RL1 P55085 1/20 0.35
TSHR P16473 3/20 0.32
CES1 P23141 5/20 0.32
CFTR P13569 1/20 0.32
GLRA3 O75311 1/20 0.32
GLRB P48167 1/20 0.32
ALDH1A1 P00352 2/20 0.32
HTT P42858 2/20 0.32
KMT2A Q03164 2/20 0.32
HSD17B10 Q99714 2/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
FAAH O00519 3/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
NCEH1 Q6PIU2 1/20 0.31
ALOX5 P09917 1/20 0.31
OR51E2 Q9H255 1/20 0.31
HPGD P15428 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
KDM4E B2RXH2 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
SCHEMBL27811865 0.89 TSHR (0.40) TSHRCES1ALDH1A1HTTKMT2A
SCHEMBL12530301 0.80 IAPP (0.40) CES1FAAHNCEH1
SCHEMBL6972759 0.78 HSP90AB1 (0.39) TSHRCFTRGLRA3GLRBALDH1A1
SCHEMBL1650355 0.74 RXRA (0.41) TSHRCES1LMNAFAAHNCEH1
SCHEMBL3169810 0.73 NR4A2 (0.40) CES1KMT2AFAAHSMN1; SMN2NCEH1
SCHEMBL26896075 0.72 FAAH (0.40) CES1FAAHNCEH1
SCHEMBL5160527 0.70 FAAH (0.46) CES1FAAHNCEH1
SCHEMBL12752055 0.70 FAAH (0.34) CES1FAAHNCEH1
SCHEMBL22482074 0.69 MTNR1A (0.46) ALDH1A1HSD17B10LMNAMAPTSMN1; SMN2
SCHEMBL5845145 0.69 F2RL1 (0.53) F2RL1ALDH1A1KMT2ALMNAMAPT

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 F2RL1 237/4885TSHR 2853/4885CES1 1986/4885
US-20020042421-A1 Substituted 1,4-dihydropyridine compounds as bradykinin antagonists BDKRB1, BDKRB2, HRH4 F2RL1 122/4885TSHR 3440/4885CES1 2196/4885

“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.