SCHEMBL9973631

SCHEMBL9973631

CC(C)C[C@H]1CCCN1CC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.40
LTA4H P09960 1/20 0.39
HTT P42858 1/20 0.38
SLC6A9 P48067 1/20 0.37
OPRD1 P41143 1/20 0.37
ACE P12821 4/20 0.36
REN P00797 2/20 0.36
ALDH1A1 P00352 2/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
CHRM3 P20309 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL499847 0.80 MEN1 (0.44) L3MBTL1LTA4HHTTOPRD1ACE
SCHEMBL7763371 0.78 POLB (0.52) L3MBTL1LTA4HOPRD1ACEALDH1A1
SCHEMBL23802767 0.78 MDM2 (0.36) SLC6A9POLB
SCHEMBL23802866 0.78 MDM2 (0.36) SLC6A9POLB
SCHEMBL20585525 0.77 S1PR1 (0.43) L3MBTL1LTA4HHTTOPRD1ACE
SCHEMBL15925112 0.76 LTA4H (0.39) L3MBTL1LTA4HHTTOPRD1ACE
SCHEMBL10453847 0.76 SLC6A9 (0.41) L3MBTL1HTTSLC6A9ALDH1A1CHRM3
SCHEMBL12621119 0.76 L3MBTL1 (0.49) L3MBTL1HTTSLC6A9ALDH1A1RAB9A
SCHEMBL439589 0.76 L3MBTL1 (0.49) L3MBTL1HTTSLC6A9ALDH1A1RAB9A
SCHEMBL12621117 0.76 L3MBTL1 (0.49) L3MBTL1HTTSLC6A9ALDH1A1RAB9A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8349857-B2 Quinazoline derivatives having tyrosine kinase inhibitory activity SHIONOGI & CO., LTD. (JP) 2013-01-08 US disclosed
US-8202879-B2 Quinazoline derivatives having tyrosine kinase inhibitory activity SHIONOGI & CO., LTD. (JP) 2012-06-19 US disclosed
US-20090143414-A1 Quinazoline Derivatives Having Tyrosine Kinase Inhibitory Activity SHIONOGI & CO., LTD. (JP) 2009-06-04 US 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-20090143414-A1 Quinazoline Derivatives Having Tyrosine Kinase Inhibitory Activity ERBB2, EGFR, ABL1 L3MBTL1 4646/4885LTA4H 4734/4885HTT 2073/4885

“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.