SCHEMBL6604229

SCHEMBL6604229

CCOC(=O)CCCN1CCN(Cc2ccccc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 1/20 0.54
ALDH1A1 P00352 4/20 0.54
KDM4E B2RXH2 2/20 0.54
TDP1 Q9NUW8 1/20 0.54
OPRM1 P35372 1/20 0.53
SIGMAR1 Q99720 1/20 0.53
MAPK1 P28482 1/20 0.53
HPGD P15428 1/20 0.53
CCR3 P51677 1/20 0.52
KMT2A Q03164 1/20 0.52
HTR7 P34969 3/20 0.52
TSHR P16473 1/20 0.52
HTR1A P08908 1/20 0.51

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
SCHEMBL7423981 0.96 HTR7 (0.57) ALDH1A1KDM4ETDP1OPRM1SIGMAR1
SCHEMBL7422666 0.95 HTR7 (0.58) ALDH1A1KDM4ETDP1OPRM1SIGMAR1
SCHEMBL7423471 0.95 HTR7 (0.58) ALDH1A1KDM4ETDP1OPRM1SIGMAR1
SCHEMBL6005349 0.92 KMT2A (0.58) ALDH1A1KDM4ETDP1OPRM1SIGMAR1
SCHEMBL1206086 0.90 SMN1; SMN2 (0.52) ALDH1A1KDM4EHPGD
SCHEMBL3039551 0.87 L3MBTL1 (0.63) ALDH1A1KDM4EKMT2A
SCHEMBL5857750 0.86 CACNA1G (0.60) CACNA1GALDH1A1CCR3KMT2AHTR7
SCHEMBL10898699 0.86 ADRA1D (0.53) ALDH1A1TDP1OPRM1SIGMAR1MAPK1
SCHEMBL27407955 0.86 ACHE (0.56) ALDH1A1MAPK1HTR7TSHRHTR1A
SCHEMBL5329789 0.85 L3MBTL1 (0.56) CACNA1GALDH1A1KDM4EMAPK1HTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1106614-B1 5-Membered heteroaryl substituted 1,4-dihydropyridine compounds as bradykinin antagonists PFIZER (US) 2004-01-07 EP disclosed
US-6444677-B2 TREATMENT OF INFLAMMATION, CARDIOVASCULAR DISEASE, PAIN, ETC. PFIZER INC. 2002-09-03 US disclosed
US-20010046993-A1 5-memberd heteroaryl substituted 1,4-dihydropyridine compounds as bradykinin antagonists IKEDA TAKAFUMI (JP) 2001-11-29 US disclosed
EP-1106614-A1 5-Membered heteroaryl substituted 1,4-dihydropyridine compounds as bradykinin antagonists PFIZER INC. (US) 2001-06-13 EP disclosed
EP-0637318-B1 PEPTIDE DERIVATIVES CORRESPONDING TO THE CARBOXY TERMINAL SEQUENCE OF HIRUDIN CIBA GEIGY AG (CH) 1998-04-01 EP disclosed
EP-0815103-A1 TRYPSIN AND THROMBIN INHIBITORS Novartis AG (CH) 1998-01-07 EP disclosed
US-5686564-A Peptide derivatives corresponding to the carboxy terminal sequence of hirudin NOVARTIS CORPORATION (US) 1997-11-11 US disclosed
WO-1996029327-A1 TRYPSIN AND THROMBIN INHIBITORS NOVARTIS AG (CH) 1996-09-26 WO disclosed
EP-0637318-A1 PEPTIDE DERIVATIVES CORRESPONDING TO THE CARBOXY TERMINAL SEQUENCE OF HIRUDIN Novartis AG (CH) 1995-02-08 EP disclosed
WO-1993022344-A1 PEPTIDE DERIVATIVES CORRESPONDING TO THE CARBOXY TERMINAL SEQUENCE OF HIRUDIN CIBA-GEIGY AG (CH) 1993-11-11 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-20010046993-A1 5-memberd heteroaryl substituted 1,4-dihydropyridine compounds as bradykinin antagonists BDKRB1, BDKRB2, CNR2 CACNA1G 291/4885ALDH1A1 2557/4885KDM4E 2675/4885

“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.