SCHEMBL1455644

SCHEMBL1455644

CN(C)CC(O)COC(N)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
LMNA P02545 3/20 0.44
KDM4E B2RXH2 2/20 0.44
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA4 P43681 1/20 0.41
HIF1A Q16665 2/20 0.40
ALOX15 P16050 1/20 0.39
HTT P42858 1/20 0.37
CYP2D6 P10635 1/20 0.36
PKM P14618 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ABCB1 P08183 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.34
DUSP3 P51452 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL29046396 0.80 KDM4E (0.41) CYP1A2SMN1; SMN2LMNAKDM4ECHRNB2
SCHEMBL28966725 0.80 KDM4E (0.41) CYP1A2SMN1; SMN2LMNAKDM4ECHRNB2
SCHEMBL28295318 0.79 CYP1A2 (0.40) CYP1A2SMN1; SMN2LMNAKDM4ECHRNB2
SCHEMBL28295319 0.79 CYP1A2 (0.40) CYP1A2SMN1; SMN2LMNAKDM4ECHRNB2
SCHEMBL29849998 0.79 CYP1A2 (0.55) CYP1A2SMN1; SMN2LMNAKDM4ECHRNB2
SCHEMBL24751357 0.79 HIF1A (0.40) SMN1; SMN2LMNAKDM4EHIF1AHTT
SCHEMBL6671734 0.77 ALOX15 (0.46) CYP1A2SMN1; SMN2LMNAKDM4ECHRNB2
SCHEMBL28903363 0.76 CYP1A2 (0.41) CYP1A2SMN1; SMN2LMNAKDM4ECHRNB2
SCHEMBL14237233 0.76
SCHEMBL871940 0.76

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
CN-117222646-A KRAS G12C inhibitors and uses thereof 苏州赞荣医药科技有限公司 2023-12-12 CN disclosed
CN-116063324-A Inhibitors of BTK and/or RET having macrocyclic structure 赛诺哈勃药业(成都)有限公司 2023-05-05 CN disclosed
EP-1979348-B1 ANTI-VIRAL COMPOUNDS ABBOTT LAB (US) 2012-01-18 EP disclosed
US-7910595-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2011-03-22 US disclosed
US-20070232627-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-10-04 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-20070232627-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 CYP1A2 877/4885SMN1; SMN2 3135/4885LMNA 3252/4885

“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.