SCHEMBL25895305

SCHEMBL25895305

CC(C)C(=O)N1CC2CCC(C1)N2C(=O)N(C)C(C)C

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA4 P43681 1/20 0.43
CHRNB3 Q05901 1/20 0.43
CHRNA6 Q15825 1/20 0.43
KCNK3 O14649 1/20 0.35
KCNK9 Q9NPC2 1/20 0.35
AGTR2 P50052 3/20 0.33
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
NPY5R Q15761 1/20 0.30
PIK3CD O00329 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
SCHEMBL30359196 0.74 KCNK3 (0.32) KCNK3KCNK9
SCHEMBL25895224 0.74 CHRNB2 (0.47) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL15196714 0.73 CHRNB2 (0.50) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL25895282 0.71 CHRNB2 (0.44) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL26204545 0.71 CHRM2 (0.55) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL25895293 0.71 CHRNB2 (0.38) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL23342598 0.70 CHRNB2 (0.43) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL25895221 0.69 MEN1 (0.40) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL23337942 0.69 CHRNB2 (0.42) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL25895309 0.69 CHRM1 (0.37) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6

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-11739074-B2 Ras inhibitors Revolution Medicines, Inc. (US) 2023-08-29 US disclosed
US-20230233569-A1 METHODS FOR DELAYING, PREVENTING, AND TREATING ACQUIRED RESISTANCE TO RAS INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2023-07-27 US disclosed
US-20230233569-A1 METHODS FOR DELAYING, PREVENTING, AND TREATING ACQUIRED RESISTANCE TO RAS INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2023-07-27 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-11739074-B2 Ras inhibitors KRAS, NRAS, HRAS CHRNB2 4850/4885CHRNA3 4873/4885CHRNA4 4883/4885
US-20230233569-A1 METHODS FOR DELAYING, PREVENTING, AND TREATING ACQUIRED RESISTANCE TO RAS INHIBITORS KRAS, HRAS, MTOR CHRNB2 4837/4885CHRNA3 4859/4885CHRNA4 4874/4885

“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.