SCHEMBL2546294

SCHEMBL2546294

CCc1cnc(N2CCC(Oc3ccc(CN4CC[N+](C(=O)[O-])(C(C)(C)C)CC4C)cc3Cl)CC2)nc1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 12/20 0.38
SCD O00767 1/20 0.35
SCN1A P35498 4/20 0.35
SCN8A Q9UQD0 4/20 0.35
UTS2R Q9UKP6 2/20 0.34

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
SCHEMBL2546077 0.89 SCN1A (0.40) GPR119SCDSCN1ASCN8AUTS2R
SCHEMBL2549095 0.85 GPR119 (0.39) GPR119SCDSCN1ASCN8A
SCHEMBL2548234 0.85 GPR119 (0.40) GPR119SCDSCN1ASCN8A
SCHEMBL2544043 0.84 GPR119 (0.40) GPR119SCD
SCHEMBL1007123 0.80 GPR119 (0.42) GPR119UTS2R
SCHEMBL12239182 0.79 ALDH1A1 (0.51) GPR119SCDSCN1ASCN8A
SCHEMBL1006689 0.77 GPR119 (0.40) GPR119SCDSCN1ASCN8A
SCHEMBL1005456 0.77 GPR119 (0.45) GPR119SCN1ASCN8A
SCHEMBL1003971 0.75 SCD (0.46) GPR119SCD
SCHEMBL12239186 0.75 SCD (0.42) GPR119SCDSCN1ASCN8AUTS2R

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-20110263557-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2011-10-27 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-20110263557-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY GPR119, GPR55, NR1H2 GPR119 1/4885SCD 1145/4885SCN1A 1881/4885

“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.