SCHEMBL3429930

SCHEMBL3429930

O=C(CO)N1CCC(CO)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 1/20 0.42
ALOX5 P09917 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
KCNH2 Q12809 1/20 0.38
MCHR1 Q99705 1/20 0.38
EPHX2 P34913 3/20 0.36
PDK2 Q15119 1/20 0.36
VNN1 O95497 1/20 0.36
CYP3A4 P08684 1/20 0.35
ITGB3 P05106 3/20 0.35
ITGA2B P08514 3/20 0.35
NPC1 O15118 2/20 0.35
F2R P25116 1/20 0.35
POLB P06746 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SMYD3 Q9H7B4 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
SCHEMBL1713095 0.87 ALOX5 (0.44) ALOX5EPHX2PDK2ITGB3ITGA2B
SCHEMBL3429927 0.86 TACR3 (0.41) TACR3ITGB3ITGA2BNPC1F2R
SCHEMBL16083143 0.84 ALDH1A1 (0.53) TACR3ALOX5CHRM2CHRM4CHRM1
SCHEMBL12521658 0.84 DPP8 (0.47) TACR3NPC1POLBALDH1A1LMNA
SCHEMBL16621833 0.84 CHRNB2 (0.44) TACR3EPHX2POLBALDH1A1
SCHEMBL24456539 0.84 DPP8 (0.47) TACR3NPC1POLBALDH1A1LMNA
SCHEMBL10305115 0.84 CHRNB2 (0.44) TACR3EPHX2POLBALDH1A1
SCHEMBL14949543 0.84 TACR3 (0.41) TACR3CHRM2CHRM1CHRM3ITGB3
SCHEMBL16621835 0.84 CHRNB2 (0.44) TACR3EPHX2POLBALDH1A1
SCHEMBL11892691 0.81 CHRNB2 (0.47) TACR3CHRM2CHRM4CHRM1CHRM3

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 TACR3 4292/4885ALOX5 1339/4885CHRM2 3846/4885

“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.