SCHEMBL25907221

SCHEMBL25907221

CC(C)(C)OC(=O)N1CCC(OC(=O)[C@](O)(c2cccs2)c2ccc(Br)s2)CC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 10/20 0.46
CHRM2 P08172 8/20 0.46
CHRM1 P11229 6/20 0.46
CHRM4 P08173 1/20 0.43
CHRM5 P08912 1/20 0.43
TSPO P30536 1/20 0.43
ADRA1A P35348 1/20 0.43
HRH1 P35367 1/20 0.43
OPRK1 P41145 1/20 0.43
KCNH2 Q12809 1/20 0.43
PDE3A Q14432 1/20 0.43
TMEM97 Q5BJF2 1/20 0.43
GPR119 Q8TDV5 5/20 0.42
KDM4E B2RXH2 1/20 0.39
PKM P14618 1/20 0.39
KDM1A O60341 1/20 0.38

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
SCHEMBL25907222 1.00 CHRM3 (0.46) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL25907220 1.00 CHRM3 (0.46) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL25906808 0.92 CHRM3 (0.53) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL25908681 0.87 MMP13 (0.48) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL25908680 0.87 MMP13 (0.48) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL25908051 0.87 MMP13 (0.48) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL26537542 0.84 GPR119 (0.48) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL26537543 0.84 GPR119 (0.48) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL26537540 0.84 GPR119 (0.48) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL28465963 0.82 CHRM3 (0.48) CHRM3CHRM2CHRM1CHRM4CHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230322745-A1 FUSED TRICYCLIC DERIVATIVE AND PHARMACEUTICAL APPLICATION THEREOF CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2023-10-12 US disclosed
US-20230322745-A1 FUSED TRICYCLIC DERIVATIVE AND PHARMACEUTICAL APPLICATION THEREOF CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2023-10-12 US disclosed
EP-4219485-A1 FUSED TRICYCLIC DERIVATIVE AND PHARMACEUTICAL APPLICATION THEREOF CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2023-08-02 EP 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-20230322745-A1 FUSED TRICYCLIC DERIVATIVE AND PHARMACEUTICAL APPLICATION THEREOF CYP3A43, ABCB1, ABCB11 CHRM3 354/4885CHRM2 1451/4885CHRM1 2980/4885

“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.