SCHEMBL14769269

SCHEMBL14769269

Cc1ccc(OC[C@@H]2C[C@H](O)CN2)cc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 1/20 0.43
DPP4 P27487 1/20 0.37
CHRNB2 P17787 3/20 0.37
CHRNA4 P43681 3/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA7 P36544 1/20 0.37
LTA4H P09960 2/20 0.37
WDR5 P61964 1/20 0.37
PDK1 Q15118 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL85466 1.00 ALK (0.43) ALKDPP4CHRNB2CHRNA4CHRNB4
SCHEMBL6979570 0.84 LTA4H (0.47) ALKCHRNB4CHRNA3CHRNA7LTA4H
SCHEMBL7845697 0.84 LTA4H (0.47) ALKCHRNB4CHRNA3CHRNA7LTA4H
SCHEMBL25155912 0.84 ALK (0.45) ALKCHRNB4CHRNA3L3MBTL1
SCHEMBL4322026 0.82 LTA4H (0.56) ALKLTA4H
SCHEMBL85414 0.81 KMT2A (0.48) ALKL3MBTL1
SCHEMBL92405 0.81 PKM (0.44) ALKL3MBTL1
SCHEMBL14254443 0.80 NOS3 (0.36) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL25155637 0.79 ALK (0.45) ALKCHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL15075264 0.77 EGFR (0.44) ALKCHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130065882-A1 VLA-4 inhibitory drug MACHINAGA NOBUO (JP) 2013-03-14 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-20130065882-A1 VLA-4 inhibitory drug VCAM1, ITGB4, ITGA4 ALK 1600/4885DPP4 1005/4885CHRNB2 3177/4885

“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.