SCHEMBL6977272

SCHEMBL6977272

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

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 5/20 0.43
▸ HDAC8 Q9BY41 2/20 0.34
▸ HDAC6 Q9UBN7 2/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ ARG1 P05089 2/20 0.33
▸ ARG2 P78540 2/20 0.33
▸ CHRM3 P20309 1/20 0.33
▸ CHRNB2 P17787 1/20 0.33
▸ CHRNA5 P30532 1/20 0.33
▸ CHRNA7 P36544 1/20 0.33
▸ CHRNA4 P43681 1/20 0.33
▸ ACE P12821 1/20 0.33
▸ ALDH1A1 P00352 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
SCHEMBL6980250 1.00 LTA4H (0.43) LTA4HHDAC8HDAC6HDAC1ARG1
SCHEMBL15304846 0.84 LTA4H (0.39) LTA4HHDAC8HDAC6HDAC1ARG1
SCHEMBL6978998 0.79 SPHK2 (0.33) LTA4HARG1ARG2
SCHEMBL6976358 0.79 SPHK2 (0.33) LTA4HARG1ARG2
SCHEMBL9973608 0.79 LTA4H (0.37) LTA4HCHRM3
SCHEMBL9973609 0.79 LTA4H (0.37) LTA4HCHRM3
SCHEMBL9975258 0.77 HRH3 (0.31) —
SCHEMBL6978488 0.77 GBA1 (0.37) HDAC8HDAC6HDAC1ARG1ARG2
SCHEMBL6979681 0.77 HRH3 (0.31) —
SCHEMBL6977643 0.74 CHRNB2 (0.43) CHRNB2CHRNA5CHRNA7CHRNA4

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 4 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-20120123114-A1 QUINAZOLINE DERIVATIVES HAVING TYROSINE KINASE INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-05-17 — — 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 (2 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 LTA4H 4734/4885HDAC8 501/4885HDAC6 702/4885
US-20120123114-A1 QUINAZOLINE DERIVATIVES HAVING TYROSINE KINASE INHIBITORY ACTIVITY ERBB2, EGFR, ABL1 LTA4H 4734/4885HDAC8 501/4885HDAC6 702/4885

“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.

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