SCHEMBL3171902

SCHEMBL3171902

CCc1cnc(-c2ccc(CCCOc3ccc4c(c3)CCN(S(C)(=O)=O)C4)cc2)nc1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.50
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
MOGAT2 Q3SYC2 9/20 0.41
ATM Q13315 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
SCHEMBL3181283 0.95 HRH3 (0.48) HRH3ESR1ESR2MOGAT2ATM
SCHEMBL3180326 0.92 HRH3 (0.49) HRH3ESR1ESR2MOGAT2ATM
SCHEMBL3188457 0.91 HRH3 (0.48) HRH3ESR1ESR2MOGAT2ATM
SCHEMBL3188325 0.90 HRH3 (0.48) HRH3ESR1ESR2MOGAT2ATM
SCHEMBL3188313 0.89 HRH3 (0.53) HRH3ESR1ESR2MOGAT2
SCHEMBL3176378 0.89 MOGAT2 (0.40) HRH3MOGAT2
SCHEMBL3177067 0.89 HRH3 (0.50) HRH3ESR1ESR2MOGAT2
SCHEMBL13531880 0.88 S1PR1 (0.42) HRH3MOGAT2
SCHEMBL3171381 0.88 HRH3 (0.46) HRH3ESR1ESR2MOGAT2ATM
SCHEMBL13531877 0.88 S1PR1 (0.50) HRH3MOGAT2

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 7 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
US-20100022515-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2010-01-28 US disclosed
WO-2008097428-A2 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2008-08-14 WO 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 HRH3 665/4885ESR1 638/4885ESR2 218/4885

“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.