SCHEMBL24970751

SCHEMBL24970751

CC(C)C(F)(F)[C@@H]1CCCN1C

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 3/20 0.33
CHRM4 P08173 3/20 0.33
CHRM5 P08912 3/20 0.33
CHRM1 P11229 3/20 0.33
CHRM3 P20309 3/20 0.33
CHRNB4 P30926 3/20 0.33
CHRNA3 P32297 3/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNA4 P43681 1/20 0.33

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
SCHEMBL12886359 0.78 CHRNB2 (0.33) CHRNB4CHRNA3CHRNB2CHRNA7CHRNA4
SCHEMBL12886362 0.78 CHRNB2 (0.33) CHRNB4CHRNA3CHRNB2CHRNA7CHRNA4
SCHEMBL2606072 0.78 CHRNB2 (0.33) CHRNB4CHRNA3CHRNB2CHRNA7CHRNA4
SCHEMBL22193299 0.76 CHRNB2 (0.32) CHRNB4CHRNA3CHRNB2CHRNA7CHRNA4
SCHEMBL10721066 0.75 CYP1A2 (0.31)
SCHEMBL15038212 0.71 CYP1A2 (0.36) CHRNB2CHRNA7CHRNA4
SCHEMBL14896663 0.71 CYP1A2 (0.36) CHRNB2CHRNA7CHRNA4
SCHEMBL4729067 0.70 CHRNB2 (0.34) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL13698050 0.70 CHRNB2 (0.34) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL13698049 0.70 CHRNB2 (0.34) CHRM2CHRM4CHRM5CHRM1CHRM3

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-20230023009-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF SPARCBIO LLC 2023-01-26 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-20230023009-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF KRAS, NRAS, HRAS CHRM2 4823/4885CHRM4 4801/4885CHRM5 4873/4885

“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.