SCHEMBL3201929

SCHEMBL3201929

CC(C)(C)c1ccc(S(=O)(=O)C2CCN(c3ccc4ccccc4n3)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 3/20 0.53
HRH3 Q9Y5N1 6/20 0.47
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 3/20 0.47
HTR3E A5X5Y0 2/20 0.47
HTR3B O95264 2/20 0.47
CYP1A2 P05177 2/20 0.47
HTR3A P46098 2/20 0.47
HTR3D Q70Z44 2/20 0.47
HTR3C Q8WXA8 2/20 0.47
THPO P40225 1/20 0.47
HRH4 Q9H3N8 1/20 0.47
HSD11B1 P28845 1/20 0.45
USP2 O75604 1/20 0.44
ADRB1 P08588 1/20 0.44
CYP3A4 P08684 1/20 0.44
HTR1A P08908 1/20 0.44
HTR2C P28335 1/20 0.44
MAPK1 P28482 1/20 0.44
SLC6A4 P31645 1/20 0.44

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
SCHEMBL3210336 0.85 PDE10A (0.56) PDE10AHRH3KDM4EALDH1A1HTR3E
SCHEMBL3215183 0.80 PDE10A (0.51) PDE10AHRH3KDM4EALDH1A1HTR3E
SCHEMBL3207477 0.76 GPR119 (0.61) KDM4EALDH1A1CYP3A4
SCHEMBL31019215 0.76 HRH3 (0.54) PDE10AHRH3KDM4EALDH1A1HTR3E
SCHEMBL3218107 0.76 HRH4 (0.49) PDE10AHRH4HSD11B1HTR2CTDP1
SCHEMBL3221466 0.75 HSD11B1 (0.65) ALDH1A1HSD11B1ADRB1HTR2CMAPK1
SCHEMBL18253221 0.72 ALDH1A1 (0.53) ALDH1A1HSD11B1HTR2C
SCHEMBL3198929 0.72 HSD11B1 (0.67) HSD11B1
SCHEMBL3219201 0.72 MAPT (0.50) HRH3KDM4EALDH1A1HSD11B1ADRB1
SCHEMBL3017641 0.72 LMNA (0.55) ALDH1A1MAPK1HTTHSD17B10NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100029648-A1 11-Beta HSD1 Inhibitors XIANG JASON SHAOYUN 2010-02-04 US disclosed
US-7632838-B2 11-beta HSD1 inhibitors WYETH (US) 2009-12-15 US disclosed
US-20070219198-A1 11-Beta HSD 1 inhibitors WYETH (US) 2007-09-20 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-20100029648-A1 11-Beta HSD1 Inhibitors HSD11B1, HSD3B1, HSD11B2 PDE10A 967/4885HRH3 3287/4885KDM4E 1296/4885
US-20070219198-A1 11-Beta HSD 1 inhibitors HSD11B1, HSD11B2, HSD3B1 PDE10A 735/4885HRH3 2511/4885KDM4E 1360/4885

“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.