SCHEMBL23359136

SCHEMBL23359136

CCCC(F)(F)CC(=O)OCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.44
MGAM O43451 1/20 0.44
SI P14410 1/20 0.44
MGAM2 Q2M2H8 1/20 0.44
ALDH1A1 P00352 3/20 0.41
TRPA1 O75762 1/20 0.41
CYP1A2 P05177 1/20 0.36
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
LMNA P02545 2/20 0.36
HSD17B10 Q99714 2/20 0.36
POLB P06746 1/20 0.35
ALOX15 P16050 1/20 0.34
SOAT1 P35610 1/20 0.34
HSD11B1 P28845 1/20 0.33
ESR1 P03372 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 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
SCHEMBL4007750 0.87 GAA (0.52) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL18590305 0.81 GAA (0.46) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL18598224 0.79 GAA (0.44) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL17078206 0.78 GAA (0.48) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL4996013 0.78 GAA (0.48) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL11861490 0.78 GAA (0.52) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL974467 0.78 GAA (0.52) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL14727725 0.77 LMNA (0.48) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL23779364 0.76 GAA (0.50) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL11819410 0.75 ALDH1A1 (0.46) GAAMGAMSIMGAM2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11534434-B2 Xanomeline derivatives and methods for treating neurological disorders Karuna Therapeutics, Inc. (US) 2022-12-27 US disclosed
US-11534434-B2 Xanomeline derivatives and methods for treating neurological disorders Karuna Therapeutics, Inc. (US) 2022-12-27 US disclosed
US-20210145810-A1 XANOMELINE DERIVATIVES AND METHODS FOR TREATING NEUROLOGICAL DISORDERS Karuna Therapeutics, Inc. 2021-05-20 US disclosed
US-20210145810-A1 XANOMELINE DERIVATIVES AND METHODS FOR TREATING NEUROLOGICAL DISORDERS Karuna Therapeutics, Inc. 2021-05-20 US disclosed
WO-2021097427-A1 XANOMELINE DERIVATIVES AND METHODS FOR TREATING NEUROLOGICAL DISORDERS Karuna Therapeutics, Inc. (US) 2021-05-20 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 (2 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-11534434-B2 Xanomeline derivatives and methods for treating neurological disorders CHRM1, RXFP3, NPY5R GAA 2757/4885MGAM 4033/4885SI 4564/4885
US-20210145810-A1 XANOMELINE DERIVATIVES AND METHODS FOR TREATING NEUROLOGICAL DISORDERS CHRM1, RXFP3, NPY5R GAA 2757/4885MGAM 4033/4885SI 4564/4885

“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.