SCHEMBL20314902

SCHEMBL20314902

CNC(=O)CN(C)C/C=C/C(=O)C(C)C

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.37
CHRNA4 P43681 2/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
OPRM1 P35372 1/20 0.31
OPRL1 P41146 1/20 0.31

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
SCHEMBL24337249 0.87 MMP3 (0.31) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL24448622 0.86 CHRNB2 (0.31) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL20314934 0.85 CTSK (0.34)
SCHEMBL20314952 0.81 CHRNB2 (0.31) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL20327085 0.81 CHRNB2 (0.33) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL20315009 0.81 CHRNB2 (0.32) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL20326264 0.80 MEN1 (0.35) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL20314961 0.79 CHRNB2 (0.33) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL20315001 0.78 CHRNB2 (0.30) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL20334812 0.78 CHRNB2 (0.31) CHRNB2CHRNA4CHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11285135-B2 KRAS G12C inhibitors and methods of using the same AMGEN INC. (US) 2022-03-29 US disclosed
US-20210292330-A1 PYRROLIDINE-FUSED HETEROCYCLES ERASCA, INC. 2021-09-23 US disclosed
EP-3558955-B1 BENZISOTHIAZOLE, ISOTHIAZOLO[3,4-B]PYRIDINE, QUINAZOLINE, PHTHALAZINE, PYRIDO[2,3-D]PYRIDAZINE AND PYRIDO[2,3-D]PYRIMIDINE DERIVATIVES AS KRAS G12C INHIBITORS FOR TREATING LUNG, PANCREATIC OR COLORECTAL CANCER AMGEN INC (US) 2021-08-11 EP disclosed
US-20200069657-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. (US) 2020-03-05 US disclosed
US-10519146-B2 KRAS G12C inhibitors and methods of using the same AMGEN INC. (US) 2019-12-31 US disclosed
US-20180177767-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. (US) 2018-06-28 US disclosed
US-20180177767-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. (US) 2018-06-28 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 (5 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-20210292330-A1 PYRROLIDINE-FUSED HETEROCYCLES SDHB, CCNI, SDHA CHRNB2 3768/4885CHRNA4 3286/4885CHRNB4 3872/4885
US-10519146-B2 KRAS G12C inhibitors and methods of using the same KRAS, NRAS, HRAS CHRNB2 4683/4885CHRNA4 4853/4885CHRNB4 4711/4885
US-20200069657-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS CHRNB2 4687/4885CHRNA4 4864/4885CHRNB4 4728/4885
US-11285135-B2 KRAS G12C inhibitors and methods of using the same KRAS, NRAS, HRAS CHRNB2 4744/4885CHRNA4 4869/4885CHRNB4 4773/4885
US-20180177767-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS CHRNB2 4683/4885CHRNA4 4853/4885CHRNB4 4711/4885

“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.