SCHEMBL22096191

SCHEMBL22096191

O=C(O)C1CC12CCN(I)CC2

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 14/20 0.37
KCNH2 Q12809 1/20 0.37
FFAR4 Q5NUL3 3/20 0.34
CYP1A2 P05177 1/20 0.31
ALOX15 P16050 1/20 0.31
CYP2C19 P33261 1/20 0.31
GRM2 Q14416 1/20 0.31
GRM3 Q14832 1/20 0.31
GRM4 Q14833 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL20985252 0.79
SCHEMBL20985243 0.79
SCHEMBL301224 0.79
SCHEMBL21645635 0.79 HRH3 (0.45) HRH3KCNH2FFAR4
SCHEMBL15655020 0.79 HRH3 (0.40) HRH3KCNH2FFAR4
SCHEMBL22615930 0.79 HRH3 (0.40) HRH3KCNH2FFAR4
SCHEMBL14728643 0.79 HRH3 (0.45) HRH3KCNH2FFAR4
SCHEMBL8165630 0.79 HRH3 (0.37) HRH3KCNH2FFAR4CYP1A2ALOX15
SCHEMBL30803106 0.76 SMN1; SMN2 (0.41) HRH3KCNH2CYP1A2CYP2C19TDP1
SCHEMBL1634054 0.75 LMNA (0.39) HRH3KCNH2CYP1A2ALOX15CYP2C19

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-20210163455-A1 GLP-1 Receptor Agonists and Uses Thereof PFIZER INC. (US) 2021-06-03 US disclosed
US-10934279-B2 GLP-1 receptor agonists and uses thereof PFIZER INC. (US) 2021-03-02 US disclosed
US-10683281-B2 GLP-1 receptor agonists and uses thereof PFIZER INC. (US) 2020-06-16 US 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 (3 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-20210163455-A1 GLP-1 Receptor Agonists and Uses Thereof GLP1R, GIPR, GCGR HRH3 1020/4885KCNH2 3068/4885FFAR4 38/4885
US-10683281-B2 GLP-1 receptor agonists and uses thereof GLP1R, GIPR, GCGR HRH3 1020/4885KCNH2 3068/4885FFAR4 38/4885
US-10934279-B2 GLP-1 receptor agonists and uses thereof GLP1R, GIPR, GCGR HRH3 1020/4885KCNH2 3068/4885FFAR4 38/4885

“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.