SCHEMBL25905688

SCHEMBL25905688

CC(C)N1CCC(F)(C(=O)N(C)C)CC1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.33
HRH3 Q9Y5N1 5/20 0.32
MMP1 P03956 1/20 0.31
MMP9 P14780 1/20 0.31
MMP13 P45452 1/20 0.31
KCNH2 Q12809 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
SCHEMBL23323492 0.89 USP30 (0.31)
SCHEMBL23324538 0.86 MMP9 (0.32) CYP2D6HRH3MMP1MMP9MMP13
SCHEMBL25905690 0.83 HRH3 (0.36) CYP2D6HRH3
SCHEMBL24127261 0.79 CYP1A2 (0.32)
SCHEMBL23325912 0.76 USP30 (0.30)
SCHEMBL21486169 0.74 MMP9 (0.36) CYP2D6HRH3MMP1MMP9MMP13
SCHEMBL27324170 0.72 USP30 (0.34)
SCHEMBL12026459 0.70 L3MBTL1 (0.40) KCNH2
SCHEMBL22198690 0.70 KMT2A (0.36) HRH3MMP1MMP9MMP13
SCHEMBL27425090 0.70 HRH3 (0.42) CYP2D6HRH3MMP1MMP9MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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-20230233569-A1 METHODS FOR DELAYING, PREVENTING, AND TREATING ACQUIRED RESISTANCE TO RAS INHIBITORS KRAS, HRAS, MTOR CYP2D6 4714/4885HRH3 3890/4885MMP1 4279/4885

“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.