SCHEMBL988903

SCHEMBL988903

[CH2]CNC(=O)OCCCC

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACHE P22303 14/20 0.60
EPHX1 P07099 1/20 0.52
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.48
TSHR P16473 1/20 0.48
ATM Q13315 1/20 0.47

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
SCHEMBL28432851 0.92 ACHE (0.67) ACHEEPHX1TSHR
SCHEMBL6499619 0.87
SCHEMBL1274540 0.84 ACHE (0.67) ACHEEPHX1ALDH1A1
SCHEMBL970930 0.83 ACHE (0.64) ACHEEPHX1ALDH1A1ATM
SCHEMBL11411528 0.83 ACHE (0.64) ACHEEPHX1ALDH1A1ATM
SCHEMBL2053911 0.82 ACHE (0.70) ACHEEPHX1
SCHEMBL10431440 0.81 ACHE (0.68) ACHEEPHX1
SCHEMBL606986 0.81 ACHE (0.62) ACHEEPHX1ALDH1A1ATM
SCHEMBL8381680 0.81 ACHE (0.74) ACHEEPHX1ALDH1A1
SCHEMBL10939707 0.81 ACHE (0.81) ACHEEPHX1

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 92 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1492536-B1 4-(N-PHENYLAMINO)-QUINAZOLINES / QUINOLINES AS TYROSINE KINASE INHIBITORS BOEHRINGER INGELHEIM PHARMA (DE) 2012-05-09 EP claimed
EP-2298305-A1 4-(N-Phenylamino)-quinazolines/quinolines as inhibitors of tyrosine kinases Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2011-03-23 EP claimed
EP-2146996-A1 XANTHINE COMPOUNDS HAVING A POSITIVE ALLOSTERIC GABAB RECEPTOR MODULATOR EFFECT AstraZeneca AB (SE) 2010-01-27 EP claimed
US-7456189-B2 Bicyclic heterocycles, medicaments containing these compounds, their use and processes for their preparation BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-11-25 US claimed
WO-2008130314-A1 XANTHINE COMPOUNDS HAVING A POSITIVE ALLOSTERIC GABAB RECEPTOR MODULATOR EFFECT ASTRAZENECA AB (SE) 2008-10-30 WO claimed
US-7119084-B2 Bicyclic heterocyclic compounds, pharmaceutical compositions containing these compounds, their use and process for preparing them BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-10-10 US claimed
EP-1670781-A1 QUINOLINE DERIVATIVES AND QUINAZOLINE DERIVATIVES, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF, AND METHOD FOR THE PRODUCTION THEREOF Boehringer Ingelheim International GmbH (DE) 2006-06-21 EP claimed
US-20050182043-A1 Bicyclic heterocyclic compounds, pharmaceutical compositions containing these compounds, their use and process for preparing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-08-18 US claimed
US-6924285-B2 Bicyclic heterocyclic compounds, pharmaceutical compositions containing these compounds, their use and process for preparing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. (DE) 2005-08-02 US claimed
WO-2005068424-A1 INDOLINONE DERIVATIVES AS RECEPTOR TYROSINE KINASE IHIBITORS CELL THERAPEUTICS EUROPE S.R.L. (IT) 2005-07-28 WO claimed
WO-2005033096-A1 QUINOLINE DERIVATIVES AND QUINAZOLINE DERIVATIVES, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF, AND METHOD FOR THE PRODUCTION THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-04-14 WO claimed
US-20050070560-A1 Bicyclic heterocycles, medicaments containing these compounds, their use and processes for their preparation BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-03-31 US claimed
EP-1492536-A1 4-(N-PHENYLAMINO)-QUINAZOLINES / QUINOLINES AS TYROSINE KINASE INHIBITORS Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2005-01-05 EP claimed
US-20040048880-A1 Bicyclic heterocyclic compounds, pharmaceutical compositions containing these compounds, their use and process for preparing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-03-11 US claimed
WO-2003082290-A1 4-(N-PHENYLAMINO)-QUINAZOLINES / QUINOLINES AS TYROSINE KINASE INHIBITORS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-10-09 WO claimed
EP-0419998-A2 Use of alkylphosphonic acid derivatives for the treatment of psoriasis ASTA Medica Aktiengesellschaft (DE) 1991-04-03 EP claimed
EP-0047079-B1 NONAPEPTIDES AFFECTING GONADAL FUNCTION THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 1984-02-22 EP claimed
US-4159981-A CYCLIC POLYPEPTIDES, DEETHERIFICATION, DEESTERIFICATION CIBA-GEIGY CORPORATION (US) 1979-07-03 US claimed
WO-2017034877-A1 CHEMICALLY MODIFIED QUINOLINE AND QUINOLONE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2017-03-02 WO disclosed
US-4115575-A CARDIOVASCULAR DISORDERS CIBA-GEIGY CORPORATION (US) 1978-09-19 US 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 (3 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-20050070560-A1 Bicyclic heterocycles, medicaments containing these compounds, their use and processes for their preparation BPHL, BRDT, PKD1 ACHE 1925/4885EPHX1 3365/4885ALDH1A1 1816/4885
US-20050182043-A1 Bicyclic heterocyclic compounds, pharmaceutical compositions containing these compounds, their use and process for preparing them CYP11B2, CYP11B1, HPGD ACHE 415/4885EPHX1 858/4885ALDH1A1 731/4885
US-20040048880-A1 Bicyclic heterocyclic compounds, pharmaceutical compositions containing these compounds, their use and process for preparing them CYP11B1, AR, CYP11B2 ACHE 3721/4885EPHX1 2329/4885ALDH1A1 1933/4885

“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.