SCHEMBL25908217

SCHEMBL25908217

O=C(OC1CC2(CCNCC2)C1)C(O)(c1ccc(Cl)s1)c1ccc(Cl)s1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 6/20 0.33
CHRM3 P20309 5/20 0.33
KCNH2 Q12809 2/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32
TSPO P30536 1/20 0.32
ADRA1A P35348 1/20 0.32
HRH1 P35367 1/20 0.32
OPRK1 P41145 1/20 0.32
PDE3A Q14432 1/20 0.32
TMEM97 Q5BJF2 1/20 0.32
F2 P00734 1/20 0.32
LMNA P02545 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 1/20 0.30
SLC6A4 P31645 1/20 0.30

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
SCHEMBL25907154 0.83 CHRM3 (0.37) CHRM2CHRM3CHRM1F2
SCHEMBL18229103 0.81 CHRM3 (0.53) CHRM2CHRM3KCNH2CHRM4CHRM5
SCHEMBL25908216 0.78 GPR119 (0.41)
SCHEMBL28475540 0.77 CHRM3 (0.49) CHRM2CHRM3KCNH2CHRM4CHRM5
SCHEMBL22766776 0.74 CHRM3 (0.51) CHRM2CHRM3KCNH2CHRM4CHRM5
SCHEMBL25907323 0.71 CHRM3 (0.39) CHRM2CHRM3KCNH2CHRM4CHRM5
SCHEMBL18238558 0.70 CHRM3 (0.42) CHRM2CHRM3KCNH2CHRM4CHRM5
SCHEMBL28465528 0.70 CHRM3 (0.52) CHRM2CHRM3KCNH2CHRM4CHRM5
SCHEMBL28471531 0.69 CHRM3 (0.48) CHRM2CHRM3KCNH2CHRM4CHRM5
SCHEMBL18229046 0.68 CHRM3 (0.53) CHRM2CHRM3KCNH2CHRM4CHRM5

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 CHRM2 1451/4885CHRM3 354/4885KCNH2 573/4885

“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.