SCHEMBL3171925

SCHEMBL3171925

CS(=O)(=O)N1CCc2cc(OCCCC3CCN(c4ccncc4)CC3)ccc2C1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 11/20 0.50
F10 P00742 4/20 0.49
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
MOGAT2 Q3SYC2 2/20 0.40
SLC6A4 P31645 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
GPR119 Q8TDV5 1/20 0.39
HRH1 P35367 2/20 0.39

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
SCHEMBL3179183 0.90 HRH3 (0.49) HRH3F10ESR1ESR2MOGAT2
SCHEMBL3181203 0.89 HRH3 (0.47) HRH3F10ESR1ESR2MOGAT2
SCHEMBL3170720 0.88 HRH3 (0.48) HRH3F10ESR1ESR2MOGAT2
SCHEMBL3179166 0.88 HRH3 (0.49) HRH3ESR1ESR2MOGAT2GPR119
SCHEMBL3181244 0.88 HRH3 (0.51) HRH3ESR1ESR2MOGAT2GPR119
SCHEMBL3176455 0.87 HRH3 (0.48) HRH3ESR1ESR2MOGAT2GPR119
SCHEMBL3181887 0.86 HRH3 (0.46) HRH3ESR1ESR2MOGAT2GPR119
SCHEMBL3171529 0.86 HRH3 (0.46) HRH3ESR1ESR2MOGAT2GPR119
SCHEMBL3171517 0.86 HRH3 (0.46) HRH3ESR1ESR2MOGAT2GPR119
SCHEMBL3181873 0.86 HRH3 (0.46) HRH3ESR1ESR2MOGAT2GPR119

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 9 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
EP-2114890-A2 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2009-11-11 EP disclosed
WO-2008097428-A2 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2008-08-14 WO 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 665/4885F10 3931/4885ESR1 638/4885

“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.