SCHEMBL29046563

SCHEMBL29046563

CC(C)(C)OC(=O)C1(C(F)(F)F)CCC(O)CC1

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
DGAT1 O75907 1/20 0.32

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
SCHEMBL24515824 1.00 CHRM2 (0.38) CHRM2CHRM1CHRM3DGAT1
SCHEMBL24515275 1.00 CHRM2 (0.38) CHRM2CHRM1CHRM3DGAT1
SCHEMBL14557008 0.81 DGAT1 (0.34) DGAT1
SCHEMBL15867794 0.80 CHRM2 (0.39) CHRM2CHRM1CHRM3DGAT1
SCHEMBL15867795 0.80 CHRM2 (0.39) CHRM2CHRM1CHRM3DGAT1
SCHEMBL16577989 0.79 CHRM2 (0.41) CHRM2CHRM1CHRM3DGAT1
SCHEMBL4214456 0.79 DGAT1 (0.36) DGAT1
SCHEMBL15867797 0.78 CHRM2 (0.40) CHRM2CHRM1CHRM3
SCHEMBL24515513 0.78 CHRM2 (0.40) CHRM2CHRM1CHRM3
SCHEMBL29046700 0.78 CHRM2 (0.40) CHRM2CHRM1CHRM3

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-20230348363-A1 COMPOUNDS AND THEIR USE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2023-11-02 US disclosed
CN-116547270-A 4- (2-fluoro-4-methoxy-5-3- (((1-methylcyclobutyl) methyl) carbamoyl) bicyclo [2.2.1] hept-2-yl) carbamoyl) phenoxy) -1-methylcyclohexane-1-carboxylic acid derivatives and similar compounds as RXFP1 modulators for the treatment of heart failure 阿斯利康(瑞典)有限公司 2023-08-04 CN disclosed
US-11667602-B2 Compounds and their use ASTRAZENECA AB (SE) 2023-06-06 US disclosed
US-20230078576-A1 COMPOUNDS AND THEIR USE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2023-03-16 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-11667602-B2 Compounds and their use RXFP1, RXFP3, RXFP2 CHRM2 116/4885CHRM1 50/4885CHRM3 346/4885
US-20230348363-A1 COMPOUNDS AND THEIR USE RXFP1, RXFP3, RXFP2 CHRM2 116/4885CHRM1 50/4885CHRM3 346/4885
US-20230078576-A1 COMPOUNDS AND THEIR USE RXFP1, RXFP3, RXFP2 CHRM2 116/4885CHRM1 50/4885CHRM3 346/4885

“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.