SCHEMBL1098682

SCHEMBL1098682

CC(C)C(=O)N1CCN(CCO)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.50
ALDH1A1 P00352 3/20 0.50
RXFP1 Q9HBX9 1/20 0.47
HSD11B1 P28845 1/20 0.45
HTT P42858 2/20 0.43
CYP2C19 P33261 2/20 0.42
HRH2 P25021 1/20 0.42
HRH1 P35367 1/20 0.42
MTNR1B P49286 1/20 0.41
PIK3CD O00329 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA4 P43681 1/20 0.41
CHRNB3 Q05901 1/20 0.41
CHRNA6 Q15825 1/20 0.41
KDM4E B2RXH2 1/20 0.41
TSHR P16473 1/20 0.41
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP2D6 P10635 1/20 0.39

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
SCHEMBL1098571 0.89 HRH2 (0.46) POLBALDH1A1RXFP1CYP2C19HRH2
SCHEMBL1098792 0.87 HRH2 (0.45) POLBALDH1A1RXFP1CYP2C19HRH2
SCHEMBL13452456 0.84 HRH2 (0.48) POLBRXFP1CYP2C19HRH2HRH1
SCHEMBL1098678 0.84 POLB (0.47) POLBALDH1A1RXFP1CYP2C19HRH2
SCHEMBL16435176 0.83 ALDH1A1 (0.47) POLBALDH1A1HSD11B1HTTCYP2C19
SCHEMBL8404633 0.83 HRH2 (0.45) POLBALDH1A1RXFP1CYP2C19HRH2
SCHEMBL24208750 0.82 POLB (0.46) POLBALDH1A1RXFP1CYP2C19HRH2
SCHEMBL20053331 0.82 ALOX15 (0.50) POLBALDH1A1RXFP1CYP2C19HRH2
SCHEMBL10976347 0.82 POLB (0.46) POLBALDH1A1RXFP1HTTCYP2C19
SCHEMBL25567954 0.82 POLB (0.46) POLBALDH1A1RXFP1CYP2C19HRH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1802591-B1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2012-01-11 EP claimed
US-20090233924-A1 Quinazoline derivatives ASTRAZENECA AB (SE) 2009-09-17 US claimed
US-20090036474-A1 Quinazoline derivatives for use against cancer PLE PATRICK 2009-02-05 US claimed
EP-1562955-B1 QUINAZOLINE DERIVATIVES AS SRC TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2008-02-27 EP claimed
EP-1802591-A1 QUINAZOLINE DERIVATIVES AstraZeneca AB (SE) 2007-07-04 EP claimed
EP-1802608-A1 QUINAZOLINE DERIVATIVES FOR USE AGAINST CANCER AstraZeneca AB (SE) 2007-07-04 EP claimed
US-20060122199-A1 Quinazoline derivatives as src tyrosine kinase inhibitors ASTRAZENECA AB (SE) 2006-06-08 US claimed
WO-2006040520-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2006-04-20 WO claimed
WO-2006040526-A1 QUINAZOLINE DERIVATIVES FOR USE AGAINST CANCER ASTRAZENECA AB (SE) 2006-04-20 WO claimed
EP-1562955-A1 QUINAZOLINE DERIVATIVES AS SRC TYROSINE KINASE INHIBITORS Astrazeneca AB (SE) 2005-08-17 EP claimed
WO-2004108707-A1 PYRIDAZINIL QUINAZOLINE DERIVATIVES FOR USE IN THE TREATMENT OF TUMOURS ASTRAZENECA AB (SE) 2004-12-16 WO claimed
WO-2004108710-A1 4-PYRIMIDINYL QUINAZOLINE DERIVATIVES FOR USE IN THE TREATMENT OF TUMOURS ASTRAZENECA AB (SE) 2004-12-16 WO claimed
WO-2004108711-A1 PYRAZINIL QUINAZOLINE DERIVATIVES FOR USE IN THE TREATMENT OF TUMOURS ASTRAZENECA AB (SE) 2004-12-16 WO claimed
WO-2004081000-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2004-09-23 WO claimed
WO-2004069827-A1 QUINOLINE DERIVATIVES AND USE THEREOF AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2004-08-19 WO claimed
WO-2004069250-A1 3-CYANO-QUINOLINE DERIVATIVES AS NON-RECEPTOR TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2004-08-19 WO claimed
WO-2004069249-A1 3-CYANO-QUINOLINE DERIVATIVES AS NON-RECEPTOR TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2004-08-19 WO claimed
WO-2004056801-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2004-07-08 WO claimed
WO-2004056812-A1 4- (PYRIDIN-4-YLAMINO) -QUINAZOLINE DERIVATIVES AS ANTI-TUMOR AGENTS ASTRAZENECA AB (SE) 2004-07-08 WO claimed
WO-2004041829-A1 QUINAZOLINE DERIVATIVES AS SRC TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2004-05-21 WO claimed

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-20090036474-A1 Quinazoline derivatives for use against cancer AQP3, AQP1, F12 POLB 2260/4885ALDH1A1 2449/4885RXFP1 37/4885
US-20090233924-A1 Quinazoline derivatives AQP1, PGF, F12 POLB 1660/4885ALDH1A1 2094/4885RXFP1 18/4885
US-20060122199-A1 Quinazoline derivatives as src tyrosine kinase inhibitors SRC, ABL1, ERBB2 POLB 3298/4885ALDH1A1 3374/4885RXFP1 2066/4885

“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.