SCHEMBL25907223

SCHEMBL25907223

O=C(OC1CCNCC1)[C@](O)(c1cccs1)c1ccc(Br)s1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 18/20 0.47
CHRM2 P08172 14/20 0.47
CHRM1 P11229 12/20 0.47
CHRM4 P08173 2/20 0.46
CHRM5 P08912 2/20 0.46
ADRA1A P35348 2/20 0.46
HRH1 P35367 2/20 0.46
OPRK1 P41145 2/20 0.46
KCNH2 Q12809 2/20 0.46
TSPO P30536 1/20 0.46
PDE3A Q14432 1/20 0.46
TMEM97 Q5BJF2 1/20 0.46
ADRA2A P08913 1/20 0.39
ADRA2C P18825 1/20 0.39
TACR1 P25103 1/20 0.39

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
SCHEMBL26529380 1.00 CHRM3 (0.47) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL20476343 0.91 CHRM3 (0.55) CHRM3CHRM2CHRM1CHRM4CHRM5
Acetic Acid SCHEMBL20476349 0.86 CHRM3 (0.54) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL25907879 0.84 CHRM3 (0.51) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL25908710 0.84 CHRM3 (0.47) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL25907953 0.84 CHRM3 (0.51) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL25908761 0.84 CHRM3 (0.47) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL26537681 0.81 CHRM3 (0.45) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL26537546 0.81 CHRM3 (0.45) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL25907221 0.79 CHRM3 (0.46) 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.