SCHEMBL18306306

SCHEMBL18306306

O=C/C=C/CN1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.39
SIGMAR1 Q99720 1/20 0.38
HSD17B10 Q99714 1/20 0.35
TRPA1 O75762 1/20 0.35
LTA4H P09960 1/20 0.34
HRH3 Q9Y5N1 3/20 0.33
MAPT P10636 2/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
ALDH1A1 P00352 2/20 0.32
GAA P10253 1/20 0.32
POLB P06746 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP1A2 P05177 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL28207021 1.00 SMN1; SMN2 (0.39) SMN1; SMN2SIGMAR1HSD17B10TRPA1LTA4H
SCHEMBL20893392 0.98 TRPA1 (0.36) SMN1; SMN2SIGMAR1HSD17B10TRPA1LTA4H
SCHEMBL16654105 0.98 TRPA1 (0.36) SMN1; SMN2SIGMAR1HSD17B10TRPA1LTA4H
SCHEMBL25185136 0.93
SCHEMBL12955382 0.81 ALDH1A1 (0.38) HRH3ALDH1A1L3MBTL1
SCHEMBL10748748 0.79 HRH3 (0.43) SMN1; SMN2SIGMAR1HSD17B10LTA4HHRH3
SCHEMBL23872301 0.79 HRH3 (0.43) SMN1; SMN2SIGMAR1HSD17B10LTA4HHRH3
SCHEMBL7227482 0.79 HRH3 (0.43) SMN1; SMN2SIGMAR1HSD17B10LTA4HHRH3
SCHEMBL30623053 0.77 TRPA1 (0.37) SIGMAR1TRPA1
SCHEMBL29773386 0.77 HRH3 (0.41) SMN1; SMN2HSD17B10TRPA1HRH3MAPT

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
WO-2023192502-A1 SPIROBICYCLIC COMPOUNDS ACERAND THERAPEUTICS (USA) LIMITED (US) 2023-10-05 WO disclosed
US-11285135-B2 KRAS G12C inhibitors and methods of using the same AMGEN INC. (US) 2022-03-29 US disclosed
US-20200069657-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. (US) 2020-03-05 US disclosed
US-9518056-B2 Inhibitors of influenza viruses replication VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-12-13 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-20200069657-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS SMN1; SMN2 3163/4885SIGMAR1 4836/4885HSD17B10 3938/4885
US-11285135-B2 KRAS G12C inhibitors and methods of using the same KRAS, NRAS, HRAS SMN1; SMN2 2904/4885SIGMAR1 4786/4885HSD17B10 2870/4885

“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.