SCHEMBL23359077

SCHEMBL23359077

CCCCCC(F)(F)Oc1nsnc1-c1cccnc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.50
CHRM4 P08173 2/20 0.50
CHRM5 P08912 2/20 0.50
CHRM1 P11229 2/20 0.50
CHRM3 P20309 2/20 0.50
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP19A1 P11511 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
PPARA Q07869 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TLR8 Q9NR97 1/20 0.35
GBA1 P04062 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL7610514 0.80 CHRM1 (0.70) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL23359107 0.80 CHRM1 (0.32) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL6908445 0.79 CHRM1 (0.68) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL7611966 0.79 CHRM1 (0.68) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL7617382 0.79 CHRM1 (0.71) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL23359042 0.78 CHRM2 (0.47) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL23359044 0.78 CHRM2 (0.47) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL27453946 0.76 CHRM1 (0.61) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9587671 0.76 CHRM2 (0.57) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL7609678 0.75 CHRM1 (0.69) 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 6 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
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 CHRM2 8/4885CHRM4 27/4885CHRM5 5/4885
US-20210145810-A1 XANOMELINE DERIVATIVES AND METHODS FOR TREATING NEUROLOGICAL DISORDERS CHRM1, RXFP3, NPY5R CHRM2 8/4885CHRM4 27/4885CHRM5 5/4885

“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.