SCHEMBL6980178

SCHEMBL6980178

CC(=O)NC1CCN(CCON=C(C)C)CC1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.50
CHRM1 P11229 2/20 0.41
DRD2 P14416 3/20 0.39
DRD3 P35462 2/20 0.39
KCNH2 Q12809 1/20 0.38
CARM1 Q86X55 1/20 0.37
PRMT6 Q96LA8 1/20 0.37
EPHX1 P07099 1/20 0.36
EPHX2 P34913 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CCR5 P51681 1/20 0.36
HTR2A P28223 1/20 0.36

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
SCHEMBL6980286 0.92 LTA4H (0.52) LTA4H
SCHEMBL12332732 0.81 LTA4H (0.54) LTA4HCHRM1DRD2DRD3CARM1
SCHEMBL6960555 0.81 LTA4H (0.43) LTA4HCHRM1DRD2DRD3KCNH2
SCHEMBL6978842 0.80 HTR1A (0.39)
SCHEMBL6980220 0.79 LTA4H (0.48) LTA4HDRD2
SCHEMBL6978837 0.78 KCNA3 (0.36) LTA4H
SCHEMBL6980020 0.76 GNAI3 (0.42) LTA4H
SCHEMBL8144691 0.76 LTA4H (0.48) LTA4HCHRM1DRD2DRD3CARM1
SCHEMBL13136091 0.76 EPHX1 (0.56) LTA4HEPHX1EPHX2L3MBTL1
SCHEMBL28754535 0.76 POLB (0.49) LTA4HCHRM1KCNH2CARM1PRMT6

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 4734/4885CHRM1 597/4885DRD2 613/4885
US-20120123114-A1 QUINAZOLINE DERIVATIVES HAVING TYROSINE KINASE INHIBITORY ACTIVITY ERBB2, EGFR, ABL1 LTA4H 4734/4885CHRM1 597/4885DRD2 613/4885

“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.