SCHEMBL23342003

SCHEMBL23342003

CC(C)C(=O)N1CC2(CCCN(C(C)C)C2=O)C1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.34
ACACA Q13085 2/20 0.34
LIPE Q05469 1/20 0.31
NOTUM Q6P988 1/20 0.31
CHRNB2 P17787 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA4 P43681 1/20 0.30
CHRNB3 Q05901 1/20 0.30
CHRNA6 Q15825 1/20 0.30
MMP2 P08253 1/20 0.30
MMP13 P45452 1/20 0.30
MMP14 P50281 1/20 0.30
ADAM17 P78536 1/20 0.30
GRIN2B Q13224 1/20 0.30
GRIN2C Q14957 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
SCHEMBL23338590 0.91 ACACB (0.33) ACACBACACANOTUMCHRNB2CHRNA3
SCHEMBL23342004 0.88 ACACB (0.38) ACACBACACALIPEMMP2MMP13
SCHEMBL25920033 0.86 SMN1; SMN2 (0.39) ACACBACACALIPENOTUM
SCHEMBL23342178 0.83 CRBN (0.36) ACACBACACANOTUMCHRNB2CHRNA3
SCHEMBL25912761 0.82 ALDH1A1 (0.39) ACACBACACA
SCHEMBL23342007 0.80 AOC2 (0.34) ACACBACACACHRNB2CHRNA3CHRNA4
SCHEMBL25919762 0.79 NOTUM (0.31) NOTUMCHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL30801674 0.77 GRIN2B (0.37) MMP2MMP13MMP14ADAM17GRIN2B
SCHEMBL30801747 0.76 GRIN2B (0.48) MMP2MMP13MMP14ADAM17GRIN2B
SCHEMBL20420099 0.73 ACACB (0.33) ACACBACACA

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
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-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 ACACB 3313/4885ACACA 3401/4885LIPE 4232/4885
US-20210130326-A1 RAS INHIBITORS KRAS, NRAS, HRAS ACACB 3273/4885ACACA 3507/4885LIPE 3995/4885
US-20230233569-A1 METHODS FOR DELAYING, PREVENTING, AND TREATING ACQUIRED RESISTANCE TO RAS INHIBITORS KRAS, HRAS, MTOR ACACB 2138/4885ACACA 2610/4885LIPE 3251/4885

“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.