SCHEMBL23342020

SCHEMBL23342020

CC(C)C(=O)N1CCCC(C(=O)N(C)C(C)C)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA4 P43681 1/20 0.37
CHRNB3 Q05901 1/20 0.37
CHRNA6 Q15825 1/20 0.37
GAA P10253 2/20 0.36
HPGD P15428 2/20 0.36
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
F2R P25116 1/20 0.36
BCHE P06276 2/20 0.36
RAB9A P51151 2/20 0.36
TSHR P16473 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
ALDH1A1 P00352 2/20 0.35
NPC1 O15118 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CA12 O43570 3/20 0.35

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
SCHEMBL23342149 0.95 HPGD (0.36) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL25895221 0.91 MEN1 (0.40) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL25919918 0.88 BCHE (0.47) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL25895224 0.84 CHRNB2 (0.47) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL27283733 0.82 DPP4 (0.46) GAARAB9ACYP2C9CYP2C19ALDH1A1
SCHEMBL25895223 0.81 MEN1 (0.41) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL22152385 0.80 BCHE (0.41) BCHETSHRALDH1A1CYP2D6MEN1
SCHEMBL12430299 0.79 ALDH1A1 (0.46) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL12741548 0.79 CHRNB2 (0.42) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL25920084 0.78 MEN1 (0.43) GAAHPGDITGB3ITGA2BF2R

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
US-11739074-B2 Ras inhibitors Revolution Medicines, Inc. (US) 2023-08-29 US disclosed
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
US-20210130326-A1 RAS INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2021-05-06 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 (3 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-20210130326-A1 RAS INHIBITORS KRAS, NRAS, HRAS CHRNB2 4838/4885CHRNA3 4860/4885CHRNA4 4878/4885
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.