SCHEMBL4024889

SCHEMBL4024889

O=CCC(=O)N1CCN(CCCO)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.38
HTR1A P08908 3/20 0.38
HTR7 P34969 3/20 0.38
TSHR P16473 1/20 0.38
HSD11B1 P28845 1/20 0.35
GAA P10253 1/20 0.33
KDM4E B2RXH2 1/20 0.33
PAOX Q6QHF9 1/20 0.33
HTR2A P28223 2/20 0.32
CACNA1F O60840 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
DRD4 P21917 1/20 0.32
DRD5 P21918 1/20 0.32
HRH2 P25021 1/20 0.32
ADRA1D P25100 1/20 0.32
ADRA1A P35348 1/20 0.32
HRH1 P35367 1/20 0.32
ADRA1B P35368 1/20 0.32
OPRM1 P35372 1/20 0.32
DRD3 P35462 1/20 0.32

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
SCHEMBL4024885 0.86 SIGMAR1 (0.38) SIGMAR1HTR1AHTR7TSHRGAA
SCHEMBL3428795 0.81 SIGMAR1 (0.41) SIGMAR1HTR1AHTR7TSHRHSD11B1
SCHEMBL25499538 0.80 SMN1; SMN2 (0.40) SIGMAR1HTR1AHTR7TSHRKDM4E
SCHEMBL25499537 0.79 TP53 (0.39) SIGMAR1HTR1AHTR7KDM4EPAOX
SCHEMBL21280856 0.78 SIGMAR1 (0.40) SIGMAR1HTR1AHTR7TSHRHSD11B1
SCHEMBL18909213 0.78 DRD3 (0.48) SIGMAR1HTR1AHTR7TSHRGAA
SCHEMBL27989490 0.77 ALDH1A1 (0.42) SIGMAR1HTR1AHTR7TSHRHSD11B1
SCHEMBL3949996 0.75 CYP1A2 (0.48) HTR1A
SCHEMBL3951701 0.75 HIF1A (0.38) TSHRKDM4EPAOX
SCHEMBL705057 0.75 CYP1A2 (0.41) SIGMAR1HTR1AHTR7TSHRHSD11B1

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-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-A1 QUINAZOLINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER Astrazeneca AB (SE) 2005-05-11 EP claimed
WO-2004004732-A1 QUINAZOLINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2004-01-15 WO 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
US-20050250797-A1 Quinzoline derivatives for use in the treatment of cancer ASTRAZENECA AB (SE) 2005-11-10 US disclosed
EP-1528925-A1 QUINAZOLINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER Astrazeneca AB (SE) 2005-05-11 EP disclosed
WO-2004004732-A1 QUINAZOLINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2004-01-15 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-20050250797-A1 Quinzoline derivatives for use in the treatment of cancer TPD52L2, NQO2, CCNI SIGMAR1 360/4885HTR1A 1385/4885HTR7 489/4885

“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.