SCHEMBL24722736

SCHEMBL24722736

CC(C)(C)C(=O)N1CC2CCC(C1)N2

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 19/20 0.53
CHRNA3 P32297 19/20 0.53
CHRNA4 P43681 19/20 0.53
CHRNB3 Q05901 19/20 0.53
CHRNA6 Q15825 19/20 0.53
HSD11B1 P28845 1/20 0.36

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
SCHEMBL12926722 0.79 CHRNB2 (0.53) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL14165213 0.77 CHRNB2 (0.34) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL745221 0.76 CHRNB2 (0.78) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL12356574 0.76 CHRNB2 (0.78) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
Trifluoroacetic Acid SCHEMBL993236 0.75 CHRNB2 (0.48) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL608991 0.75 NR1H2 (0.50) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL22169156 0.75 NR1H2 (0.50) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL24884312 0.75 NR1H2 (0.50) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL400513 0.75 NR1H2 (0.50) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
Hydrochloric Acid SCHEMBL1902519 0.74 CHRNB2 (0.75) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230104936-A1 TRPML MODULATORS CASMA THERAPEUTICS, INC. 2023-04-06 US disclosed
WO-2022166920-A1 PYRROLOPYRIDAZINE COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 杭州中美华东制药有限公司 2022-08-11 WO 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-20230104936-A1 TRPML MODULATORS TRPM2, TRPM4, TRPM5 CHRNB2 220/4885CHRNA3 196/4885CHRNA4 168/4885

“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.