SCHEMBL1098792

SCHEMBL1098792

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 6/20 0.45
HRH1 P35367 6/20 0.45
POLB P06746 2/20 0.44
RXFP1 Q9HBX9 1/20 0.44
TP53 P04637 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP2C19 P33261 1/20 0.40
PAOX Q6QHF9 1/20 0.40
CHRM3 P20309 1/20 0.39
MTNR1B P49286 1/20 0.39
PIK3CD O00329 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA4 P43681 1/20 0.38
CHRNB3 Q05901 1/20 0.38
CHRNA6 Q15825 1/20 0.38
HRH3 Q9Y5N1 2/20 0.37
SLC6A4 P31645 1/20 0.37
LMNA P02545 1/20 0.37

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 0.95 HRH2 (0.46) HRH2HRH1POLBRXFP1TP53
SCHEMBL1098682 0.87 POLB (0.50) HRH2HRH1POLBRXFP1ALDH1A1
SCHEMBL1098791 0.86 HRH2 (0.45) HRH2HRH1POLBRXFP1TP53
SCHEMBL23572025 0.86 HRH2 (0.57) HRH2HRH1POLBRXFP1CYP2C19
SCHEMBL22848877 0.84 HRH2 (0.44) HRH2HRH1POLBRXFP1TP53
SCHEMBL19710862 0.84 HRH2 (0.56) HRH2HRH1POLBRXFP1CYP2C19
SCHEMBL25509591 0.84 HRH2 (0.56) HRH2HRH1POLBRXFP1CYP2C19
SCHEMBL20621097 0.84 HRH2 (0.55) HRH2HRH1POLBRXFP1TP53
SCHEMBL1098569 0.84 HRH2 (0.46) HRH2HRH1POLBRXFP1TP53
SCHEMBL24373154 0.83 HRH2 (0.43) HRH2HRH1POLBRXFP1TP53

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 61 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-1802608-A1 QUINAZOLINE DERIVATIVES FOR USE AGAINST CANCER AstraZeneca AB (SE) 2007-07-04 EP claimed
EP-1802591-A1 QUINAZOLINE DERIVATIVES 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-2004108711-A1 PYRAZINIL 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-2004108707-A1 PYRIDAZINIL QUINAZOLINE DERIVATIVES FOR USE IN THE TREATMENT OF TUMOURS ASTRAZENECA AB (SE) 2004-12-16 WO claimed
WO-2004108704-A1 PYRIMIDIN-4-YL 3-CYANOQUINOLINE DERIVATIVES FOR USE IN THE TREATMENT OF TUMOURS ASTRAZENECA AB (SE) 2004-12-16 WO claimed
WO-2004069827-A1 QUINOLINE DERIVATIVES AND USE THEREOF AS ANTITUMOR AGENTS 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-2004069250-A1 3-CYANO-QUINOLINE DERIVATIVES AS NON-RECEPTOR TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2004-08-19 WO claimed
WO-2004041829-A1 QUINAZOLINE DERIVATIVES AS SRC TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2004-05-21 WO claimed
US-20120165351-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2012-06-28 US disclosed
WO-2004041829-A1 QUINAZOLINE DERIVATIVES AS SRC TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2004-05-21 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 (4 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 HRH2 356/4885HRH1 330/4885POLB 2260/4885
US-20090233924-A1 Quinazoline derivatives AQP1, PGF, F12 HRH2 375/4885HRH1 218/4885POLB 1660/4885
US-20120165351-A1 QUINAZOLINE DERIVATIVES AQP1, F12, AQP3 HRH2 355/4885HRH1 209/4885POLB 1971/4885
US-20060122199-A1 Quinazoline derivatives as src tyrosine kinase inhibitors SRC, ABL1, ERBB2 HRH2 485/4885HRH1 1265/4885POLB 3298/4885

“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.