SCHEMBL22555040

SCHEMBL22555040

CC(C)(COCC1CCN1)[SiH](c1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNA3 P32297 3/20 0.38
CHRNB4 P30926 2/20 0.38
CHRNB2 P17787 4/20 0.36
CHRNA4 P43681 4/20 0.36
CHRNA7 P36544 2/20 0.35
CHRNA1 P02708 1/20 0.35
CHRNG P07510 1/20 0.35
CHRNB1 P11230 1/20 0.35
CHRND Q07001 1/20 0.35
SLC6A2 P23975 1/20 0.34
HTR2A P28223 1/20 0.34
SLC6A3 Q01959 1/20 0.34

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
SCHEMBL22443167 0.75 CHRNB4 (0.32) CHRNA3CHRNB4CHRNB2
SCHEMBL3521519 0.73
SCHEMBL22555289 0.71 GBA1 (0.38)
SCHEMBL21489572 0.71 KDM4E (0.36)
SCHEMBL661209 0.70
SCHEMBL663042 0.70
SCHEMBL2986949 0.70
SCHEMBL2479941 0.69
SCHEMBL4121306 0.69
SCHEMBL28579278 0.68 TSHR (0.50) CHRNA3CHRNB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11548888-B2 KRas G12C inhibitors Mirati Therapeutics, Inc. (US) 2023-01-10 US disclosed
EP-4087573-A1 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. (US) 2022-11-16 EP disclosed
US-20200331911-A1 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. 2020-10-22 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-11548888-B2 KRas G12C inhibitors KRAS, NRAS, HRAS CHRNA3 4866/4885CHRNB4 4861/4885CHRNB2 4856/4885
US-20200331911-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS CHRNA3 4866/4885CHRNB4 4861/4885CHRNB2 4856/4885

“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.