SCHEMBL442111

SCHEMBL442111

CCC(NS(=O)(=O)C1CC1)(Oc1ccc2c(cnn2-c2ccccn2)c1)c1ccnc(OC)c1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.41
NR3C1 P04150 9/20 0.37
PGR P06401 2/20 0.37
GRM7 Q14831 3/20 0.33
HTR3A P46098 2/20 0.33
HRH3 Q9Y5N1 1/20 0.33
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
PIM1 P11309 2/20 0.32
PIM3 Q86V86 2/20 0.32
PIM2 Q9P1W9 2/20 0.32

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
SCHEMBL442589 0.94 PDE10A (0.41) PDE10ANR3C1PGRGRM7HTR3A
SCHEMBL442732 0.91 PDE10A (0.41) PDE10ANR3C1PGRGRM7HTR3A
SCHEMBL2495837 0.88 NR3C1 (0.39) NR3C1PGRCYP11B1CYP11B2
SCHEMBL445887 0.79 NR3C1 (0.39) NR3C1PGRCYP11B1CYP11B2
SCHEMBL411954 0.78 NR3C1 (0.50) PDE10ANR3C1PGR
SCHEMBL442110 0.76 NR3C1 (0.60) PDE10ANR3C1PGR
SCHEMBL28785127 0.72 PDE10A (0.54) PDE10ANR3C1GRM7CYP11B1CYP11B2
SCHEMBL411933 0.71 NR3C1 (0.60) PDE10ANR3C1PGR
SCHEMBL413195 0.67 PDE10A (0.41) PDE10ANR3C1PGRIRAK4
SCHEMBL439694 0.65 PDE10A (0.42) PDE10ANR3C1PGRIRAK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2097384-B1 INDOZALYL SULPHONAMIDE DERIVATIVES USEFUL AS GLUCOCORTICOID MODULATORS ASTRAZENECA AB (SE) 2012-09-12 EP claimed
US-20120065173-A1 CHEMICAL COMPOUNDS BERGER MARKUS (DE) 2012-03-15 US claimed
US-20080207721-A1 Chemical compounds BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-08-28 US claimed
US-20120065173-A1 CHEMICAL COMPOUNDS BERGER MARKUS (DE) 2012-03-15 US disclosed
US-8030340-B2 Moderators of glucocorticoids receptor; antiinflamamtory agents; chronic obstructive pulmonary disease ASTRAZENECA AB (SE) 2011-10-04 US disclosed
US-20080207721-A1 Chemical compounds BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-08-28 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 (2 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-20080207721-A1 Chemical compounds NR3C1, NR3C2, MC2R PDE10A 315/4885NR3C1 1/4885PGR 263/4885
US-20120065173-A1 CHEMICAL COMPOUNDS NR3C1, NR3C2, MC2R PDE10A 304/4885NR3C1 1/4885PGR 281/4885

“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.