SCHEMBL3428795

SCHEMBL3428795

O=C(CO)N1CCN(CCCO)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.41
HTR1A P08908 2/20 0.41
HTR7 P34969 2/20 0.41
TSHR P16473 2/20 0.41
HSD11B1 P28845 1/20 0.39
GAA P10253 1/20 0.38
AKR1C3 P42330 1/20 0.37
PAOX Q6QHF9 1/20 0.36
KDM4E B2RXH2 2/20 0.35
HSD17B10 Q99714 2/20 0.35
ATM Q13315 1/20 0.35
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
CYP3A4 P08684 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CYP1A2 P05177 1/20 0.35

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
SCHEMBL14012786 0.87 TSHR (0.51) HTR1AHTR7TSHRHSD11B1GAA
SCHEMBL3428793 0.86 SIGMAR1 (0.41) SIGMAR1HTR1AHTR7TSHRHSD11B1
SCHEMBL18909213 0.84 DRD3 (0.48) SIGMAR1HTR1AHTR7TSHRGAA
SCHEMBL21280856 0.84 SIGMAR1 (0.40) SIGMAR1HTR1AHTR7TSHRHSD11B1
SCHEMBL4024889 0.81 SIGMAR1 (0.38) SIGMAR1HTR1AHTR7TSHRHSD11B1
SCHEMBL705057 0.81 CYP1A2 (0.41) SIGMAR1HTR1AHTR7TSHRHSD11B1
SCHEMBL4819735 0.80 SIGMAR1 (0.40) SIGMAR1HTR1AHTR7TSHRPAOX
SCHEMBL22030327 0.80 ACKR3 (0.38) SIGMAR1HTR1AHTR7TSHRHSD11B1
SCHEMBL6045028 0.80 DRD2 (0.43) SIGMAR1HSD11B1KDM4E
SCHEMBL13600576 0.80 SIGMAR1 (0.37) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7691867-B2 Chemical compounds ASTRAZENECA AB (SE) 2010-04-06 US disclosed
EP-1613619-B1 QUINAZOLINE DERIVATIVES FOR TREATMENT OF CANCER ASTRAZENECA AB (SE) 2008-03-26 EP disclosed
US-20060270692-A1 Chemical compounds ASTRAZENECA AB (SE) 2006-11-30 US disclosed
EP-1613619-A1 QUINAZOLINE DERIVATIVES FOR TREATMENT OF CANCER AstraZeneca AB (SE) 2006-01-11 EP disclosed
WO-2004094410-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2004-11-04 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-20060270692-A1 Chemical compounds CCNI, MKI67, TP53 SIGMAR1 3443/4885HTR1A 2491/4885HTR7 1120/4885

“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.