SCHEMBL3223609

SCHEMBL3223609

O=S(=O)(c1ccccc1Cl)N1CCN(c2cccc(Cl)c2Cl)CC1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 2/20 0.57
TSHR P16473 1/20 0.56
DRD2 P14416 7/20 0.55
DRD3 P35462 5/20 0.55
DHODH Q02127 1/20 0.54
HSD11B1 P28845 1/20 0.53
DRD4 P21917 2/20 0.52
HTR6 P50406 4/20 0.52
ADRB1 P08588 1/20 0.51
LMNA P02545 2/20 0.51
KMT2A Q03164 1/20 0.51
HTR1A P08908 2/20 0.49
HTR2A P28223 2/20 0.49
HTR7 P34969 2/20 0.49
GBA1 P04062 1/20 0.49
MAPT P10636 1/20 0.49

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
SCHEMBL2961026 0.91 CHRM4 (0.62) CHRM4TSHRHSD11B1HTR6LMNA
SCHEMBL5331434 0.85 CHRM4 (0.64) CHRM4TSHRHSD11B1LMNAKMT2A
SCHEMBL3216764 0.84 ALDH1A1 (0.64) CHRM4TSHRHSD11B1LMNAKMT2A
SCHEMBL2963243 0.84 CHRM4 (0.56) CHRM4TSHRHSD11B1HTR6LMNA
SCHEMBL2961967 0.84 ALDH1A1 (0.61) CHRM4HSD11B1LMNAKMT2AGBA1
SCHEMBL10723724 0.83 CHRM4 (0.64) CHRM4TSHRLMNAKMT2AGBA1
SCHEMBL3223553 0.83 CHRM4 (0.61) CHRM4TSHRHTR6GBA1MAPT
SCHEMBL2950399 0.80 SMN1; SMN2 (0.74) TSHRLMNAKMT2AMAPT
SCHEMBL2959432 0.80 CHRM4 (0.52) CHRM4TSHRHSD11B1LMNAKMT2A
SCHEMBL3212651 0.80 HSD11B1 (0.67) CHRM4HSD11B1KMT2AGBA1

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-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
EP-1981848-A2 11-BETA HSD1 INHIBITORS Wyeth (US) 2008-10-22 EP disclosed
US-20070219198-A1 11-Beta HSD 1 inhibitors WYETH (US) 2007-09-20 US disclosed
WO-2007092435-A2 11-BETA HSD1 INHIBITORS WYETH (US) 2007-08-16 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 (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 CHRM4 4870/4885TSHR 3335/4885DRD2 1358/4885
US-20070219198-A1 11-Beta HSD 1 inhibitors HSD11B1, HSD11B2, HSD3B1 CHRM4 4818/4885TSHR 2942/4885DRD2 921/4885

“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.