SCHEMBL20538882

SCHEMBL20538882

Cc1nc(N2CCC(C3CCN(C(=O)O)CC3)CC2)ccc1C(=O)N(C)C

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 10/20 0.43
NR1H2 P55055 3/20 0.41
NR1H3 Q13133 3/20 0.41
PTGER4 P35408 2/20 0.37
HRH3 Q9Y5N1 1/20 0.35
PGR P06401 1/20 0.35
NR3C2 P08235 1/20 0.35
OPRK1 P41145 1/20 0.35
FGFR1 P11362 1/20 0.33
IDH1 O75874 1/20 0.32
HSD11B1 P28845 1/20 0.32

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
SCHEMBL18838570 0.86 NR1H2 (0.41) GPR119NR1H2NR1H3PTGER4HRH3
SCHEMBL18838576 0.86 GPR119 (0.39) GPR119NR1H2NR1H3PTGER4HRH3
Hydrochloric Acid SCHEMBL18838568 0.85 GPR119 (0.38) GPR119NR1H2NR1H3PTGER4HRH3
Hydrochloric Acid SCHEMBL18838569 0.85 GPR119 (0.38) GPR119NR1H2NR1H3PTGER4HRH3
SCHEMBL18838593 0.83 GPR119 (0.42) GPR119NR1H2NR1H3PGRNR3C2
SCHEMBL22368375 0.82 NR1H2 (0.44) GPR119NR1H2NR1H3HRH3
SCHEMBL18872827 0.81 NR1H2 (0.66) GPR119NR1H2NR1H3HRH3
SCHEMBL18838560 0.81 NR1H2 (0.66) GPR119NR1H2NR1H3HRH3
SCHEMBL23838140 0.78 NR1H2 (0.42) GPR119NR1H2NR1H3PTGER4HRH3
SCHEMBL18921631 0.76 GPR119 (0.37) GPR119PTGER4HRH3PGRNR3C2

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
EP-3373933-B1 BISPIPERIDINYL DERIVATIVES AS LIVER X RECEPTOR BETA AGONISTS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME (US) 2020-08-26 EP disclosed
US-20180305332-A1 Bispiperidinyl Derivatives as Liver X Receptor Beta Agonists, Compositions, and Their Use MERCK SHARP & DOHME CORP. (US) 2018-10-25 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-20180305332-A1 Bispiperidinyl Derivatives as Liver X Receptor Beta Agonists, Compositions, and Their Use NR1H2, NR1H3, NR1H4 GPR119 8/4885NR1H2 1/4885NR1H3 2/4885

“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.