SCHEMBL3178450

SCHEMBL3178450

CS(=O)(=O)N1CCc2cc(OCCCC3CCNCC3)ccc2C1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.55
ITGB3 P05106 4/20 0.53
ITGA2B P08514 4/20 0.53
CYP2D6 P10635 1/20 0.49
ESR1 P03372 1/20 0.47
ESR2 Q92731 1/20 0.47
F10 P00742 1/20 0.43
HRH1 P35367 1/20 0.42
MOGAT2 Q3SYC2 3/20 0.42

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
SCHEMBL3180488 0.85 HRH3 (0.53) HRH3ESR1ESR2MOGAT2
SCHEMBL3181244 0.83 HRH3 (0.51) HRH3ESR1ESR2MOGAT2
SCHEMBL3184675 0.83 HRH3 (0.72) HRH3ESR1ESR2HRH1
SCHEMBL4437451 0.82 HRH3 (0.53) HRH3ESR1ESR2MOGAT2
SCHEMBL3171925 0.82 HRH3 (0.50) HRH3CYP2D6ESR1ESR2F10
SCHEMBL3171917 0.82 HRH3 (0.48) HRH3ITGB3ITGA2BESR1ESR2
SCHEMBL4434244 0.82 HRH3 (0.53) HRH3CYP2D6ESR1ESR2MOGAT2
SCHEMBL3176322 0.81 HRH3 (0.49) HRH3ESR1ESR2MOGAT2
SCHEMBL3176556 0.81 GPR119 (0.54) HRH3
SCHEMBL3179166 0.81 HRH3 (0.49) HRH3ESR1ESR2MOGAT2

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 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

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 665/4885ITGB3 2381/4885ITGA2B 1513/4885

“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.