SCHEMBL3429927

SCHEMBL3429927

[O]CC1CCN(C(=O)CO)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 2/20 0.41
SMYD3 Q9H7B4 1/20 0.34
ALDH1A1 P00352 4/20 0.33
LMNA P02545 1/20 0.33
NPC1 O15118 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
RBP4 P02753 1/20 0.32
TACR1 P25103 1/20 0.32
POLB P06746 1/20 0.32
NAMPT P43490 1/20 0.32
BRD4 O60885 1/20 0.32
AKR1C3 P42330 1/20 0.31
ITGB3 P05106 1/20 0.31
ITGA2B P08514 1/20 0.31
F2R P25116 1/20 0.31
KAT6A Q92794 1/20 0.31
KAT5 Q92993 1/20 0.31
KAT8 Q9H7Z6 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL3429930 0.86 TACR3 (0.42) TACR3SMYD3ALDH1A1LMNANPC1
SCHEMBL24456539 0.82 DPP8 (0.47) TACR3ALDH1A1LMNANPC1DPP8
SCHEMBL14949543 0.82 TACR3 (0.41) TACR3SMYD3LMNADPP8DPP7
SCHEMBL12521658 0.82 DPP8 (0.47) TACR3ALDH1A1LMNANPC1DPP8
SCHEMBL12522314 0.79 RBP4 (0.40) TACR3ALDH1A1NPC1RBP4POLB
SCHEMBL24449430 0.79 TACR3 (0.39) TACR3ALDH1A1LMNANPC1DPP8
SCHEMBL12448272 0.78 DPP4 (0.39) TACR3SMYD3ALDH1A1LMNANPC1
SCHEMBL24457515 0.78 ALDH1A1 (0.38) TACR3ALDH1A1LMNANPC1DPP8
SCHEMBL1713095 0.77 ALOX5 (0.44) ALDH1A1NPC1NAMPTBRD4AKR1C3
SCHEMBL13665501 0.75 DPP4 (0.49) ALDH1A1LMNANPC1DPP7

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 4292/4885SMYD3 2934/4885ALDH1A1 402/4885

“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.