SCHEMBL19940303

SCHEMBL19940303

CCCCCCC(c1ccc(C(=O)OC)cc1)n1ccc2cc(-c3ccc(C)cc3)ccc21

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GCGR P47871 7/20 0.43
HRH3 Q9Y5N1 1/20 0.38
ICMT O60725 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
TLR8 Q9NR97 1/20 0.38
GIPR P48546 1/20 0.37
SIRT2 Q8IXJ6 1/20 0.36

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
SCHEMBL19940302 0.89 GCGR (0.45) GCGRHRH3ICMT
SCHEMBL19923021 0.89 GCGR (0.55) GCGRGIPR
SCHEMBL22296636 0.88 HRH3 (0.47) GCGRHRH3ICMT
SCHEMBL19970036 0.86 HRH3 (0.41) GCGRHRH3ICMT
SCHEMBL19940307 0.83 GCGR (0.43) GCGRTDP1
SCHEMBL19922870 0.79 GCGR (0.58) GCGR
SCHEMBL19922853 0.77 GCGR (0.59) GCGR
SCHEMBL9033432 0.75
SCHEMBL9033452 0.75
SCHEMBL19923020 0.73 GCGR (0.54) GCGRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180064686-A1 INDOLE DERIVATIVES USEFUL AS GLUCAGON RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2018-03-08 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 (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-20180064686-A1 INDOLE DERIVATIVES USEFUL AS GLUCAGON RECEPTOR ANTAGONISTS GPR119, GIPR, GLP1R GCGR 4/4885HRH3 876/4885ICMT 2627/4885

“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.