SCHEMBL4023110

SCHEMBL4023110

[O]CCCN1CCN(C=O)CC1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.42
SIGMAR1 Q99720 2/20 0.33
ACE2 Q9BYF1 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
KCNH2 Q12809 1/20 0.31
PAOX Q6QHF9 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
SCHEMBL4024810 0.93 HSD17B10 (0.41) HSD17B10SIGMAR1HRH3KCNH2PAOX
SCHEMBL5574053 0.88 HSD17B10 (0.47) HSD17B10SIGMAR1ACE2HRH3KCNH2
SCHEMBL4023018 0.86 HSD17B10 (0.45) HSD17B10ACE2
SCHEMBL31298039 0.82 HSD17B10 (0.57) HSD17B10SIGMAR1HRH3
SCHEMBL31298041 0.80 HSD17B10 (0.60) HSD17B10SIGMAR1HRH3
SCHEMBL4915224 0.80 GNAI3 (0.44) HSD17B10SIGMAR1
SCHEMBL1306555 0.80 HSD17B10 (0.46) HSD17B10SIGMAR1HRH3KCNH2PAOX
SCHEMBL7092659 0.80 HSD17B10 (0.41) HSD17B10SIGMAR1ACE2HRH3KCNH2
SCHEMBL4024813 0.78 HSD17B10 (0.44) HSD17B10SIGMAR1HRH3KCNH2PAOX
SCHEMBL4901796 0.78 GNAI3 (0.52) HSD17B10KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1528925-B1 QUINAZOLINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2009-04-22 EP claimed
US-7504408-B2 Quinzoline derivatives for use in the treatment of cancer ASTRAZENECA AB (SE) 2009-03-17 US claimed
US-20050250797-A1 Quinzoline derivatives for use in the treatment of cancer ASTRAZENECA AB (SE) 2005-11-10 US claimed
EP-1528925-B1 QUINAZOLINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2009-04-22 EP disclosed
US-7504408-B2 Quinzoline derivatives for use in the treatment of cancer ASTRAZENECA AB (SE) 2009-03-17 US disclosed
EP-1902717-A2 Vasopressin antagonist and oxytocin antagonist Otsuka Pharmaceutical Company, Limited (JP) 2008-03-26 EP disclosed
EP-0620003-B1 VASOPRESSIN ANTAGONIST AND OXYTOCIN ANTAGONIST OTSUKA PHARMA CO LTD (JP) 2008-01-16 EP disclosed
US-20050250797-A1 Quinzoline derivatives for use in the treatment of cancer ASTRAZENECA AB (SE) 2005-11-10 US disclosed
US-5753644-A Vasopressin antagonist and oxytocin antagonist OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-05-19 US disclosed
US-5622947-A VASODILATORS, HYPOTENSIVE AGENTS, DIURETICS, PLATELET AGGLUTINATION INHIBITORS; ALSO USED TO PREVENT PREMATURE BIRTH, TREAT DYSMENORRHEA OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-04-22 US disclosed
EP-0514667-B1 Benzazepin derivatives as vasopressin antagonists OTSUKA PHARMA CO LTD (JP) 1995-08-09 EP disclosed
EP-0620003-A1 VASOPRESSIN ANTAGONIST AND OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-10-19 EP disclosed
US-5244898-A Vasopressin antagonist OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-09-14 US disclosed
EP-0514667-A1 Benzazepin derivatives as vasopressin antagonists OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-11-25 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 (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-20050250797-A1 Quinzoline derivatives for use in the treatment of cancer TPD52L2, NQO2, CCNI HSD17B10 4141/4885SIGMAR1 360/4885ACE2 1162/4885

“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.