SCHEMBL4886970

SCHEMBL4886970

CN1[C@@H]2CC[C@H]1C[C@@H](OC(=O)C(O)(c1cccs1)c1cccs1)C2

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 14/20 0.60
CHRM2 P08172 13/20 0.60
CHRM1 P11229 11/20 0.57
CHRM4 P08173 5/20 0.57
CHRM5 P08912 5/20 0.57
TSPO P30536 1/20 0.57
ADRA1A P35348 1/20 0.57
HRH1 P35367 1/20 0.57
OPRK1 P41145 1/20 0.57
KCNH2 Q12809 1/20 0.57
PDE3A Q14432 1/20 0.57
TMEM97 Q5BJF2 1/20 0.57
HTR3E A5X5Y0 1/20 0.50
HTR3B O95264 1/20 0.50
CHRNA7 P36544 1/20 0.50
HTR3A P46098 1/20 0.50
HTR3D Q70Z44 1/20 0.50
HTR3C Q8WXA8 1/20 0.50
LMNA P02545 1/20 0.47
CYP2D6 P10635 1/20 0.47

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
SCHEMBL4886957 1.00 CHRM3 (0.60) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL4886984 1.00 CHRM3 (0.60) CHRM3CHRM2CHRM1CHRM4CHRM5
Mazaticol SCHEMBL34619 0.86 CHRM3 (0.51) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL14472825 0.85 CHRM3 (0.60) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL16742011 0.85 CHRM3 (0.60) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL1900207 0.85 CHRM3 (0.60) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL14278854 0.85 CHRM3 (0.60) CHRM3CHRM2CHRM1CHRM4CHRM5
Mazaticol SCHEMBL182361 0.85 CHRM3 (0.50) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL12152514 0.84 CHRM3 (0.54) CHRM3CHRM2CHRM1CHRM4CHRM5
Mazaticol SCHEMBL17747972 0.84 CHRM3 (0.50) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080027094-A1 Tropane Compounds and Pharmaceutical Compositions Comprising the Same as an Active Ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2008-01-31 US disclosed
EP-1785421-A1 TROPAN COMPOUND ONO PHARMACEUTICAL CO., LTD. (JP) 2007-05-16 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-20080027094-A1 Tropane Compounds and Pharmaceutical Compositions Comprising the Same as an Active Ingredient CHRM1, CHRM3, CHRM2 CHRM3 2/4885CHRM2 3/4885CHRM1 1/4885

“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.