SCHEMBL3178944

SCHEMBL3178944

CCc1cnc(N2CCC(Cc3noc(-c4ccc5c(c4)CCN(S(C)(=O)=O)C5)n3)CC2)nc1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 18/20 0.41
▸ KDM4E B2RXH2 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ ESR1 P03372 1/20 0.37
▸ ESR2 Q92731 1/20 0.37

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
SCHEMBL3181977 0.90 ESR1 (0.39) GPR119KDM4EESR1ESR2
SCHEMBL3170718 0.86 CNR1 (0.47) GPR119ESR1ESR2
SCHEMBL3188612 0.85 ESR1 (0.37) GPR119ESR1ESR2
SCHEMBL3177263 0.84 GPR119 (0.41) GPR119ESR1ESR2
SCHEMBL3171868 0.83 ESR1 (0.36) GPR119KDM4EESR1ESR2
SCHEMBL3189387 0.83 AVPR1A (0.41) GPR119KDM4EESR1ESR2
SCHEMBL13531824 0.82 ESR1 (0.42) GPR119ESR1ESR2
SCHEMBL3182464 0.81 ESR1 (0.43) GPR119ESR1ESR2
SCHEMBL3177435 0.81 GPR119 (0.45) GPR119KDM4E
Hydrochloric Acid SCHEMBL3181917 0.81 ESR1 (0.42) GPR119ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100022515-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2010-01-28 — — US claimed
EP-2114890-A2 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2009-11-11 — — EP claimed
WO-2008097428-A2 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2008-08-14 — — WO claimed
US-20100022515-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2010-01-28 — — US disclosed
US-20100022515-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2010-01-28 — — 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-20100022515-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY GPR119, GCGR, GPR65 GPR119 1/4885KDM4E 2943/4885NPC1 227/4885

“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.

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