SCHEMBL3226090

SCHEMBL3226090

O=S(=O)(c1cccc(Cl)c1)C1CCNCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 12/20 0.50
HTR2C P28335 4/20 0.46
HTR1A P08908 3/20 0.46
HTR7 P34969 3/20 0.46
HTR2B P41595 3/20 0.46
HTR1D P28221 2/20 0.46
HTR1B P28222 2/20 0.46
CHRM1 P11229 1/20 0.45
CHRM3 P20309 1/20 0.45
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
KMT2A Q03164 1/20 0.44
CYP3A4 P08684 3/20 0.43
MMP2 P08253 1/20 0.43
HTR2A P28223 2/20 0.42
HTR3E A5X5Y0 1/20 0.42
HTR3B O95264 1/20 0.42
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.42
ADRB1 P08588 1/20 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
SCHEMBL25483288 0.85 MEN1 (0.51) HTR2CMEN1ALDH1A1KMT2AMMP2
SCHEMBL16771112 0.84 GABRA1 (0.42) HTR6CHRM1CHRM3CYP3A4ADRB1
Hydrochloric Acid SCHEMBL17061868 0.83 GABRA1 (0.41) HTR6HTR2CHTR1AHTR7HTR2B
SCHEMBL10878585 0.83 MMP2 (0.40) HTR6HTR2CMEN1ALDH1A1KMT2A
SCHEMBL10797771 0.82 HTR6 (0.50) HTR6MEN1ALDH1A1KMT2AMMP2
Hydrochloric Acid SCHEMBL10799498 0.81 HTR6 (0.49) HTR6MEN1ALDH1A1KMT2AMMP2
SCHEMBL12184749 0.81 HTR2C (0.51) HTR6HTR2CHTR2BHTR2A
SCHEMBL21623806 0.81 HTR6 (0.52) HTR6HTR2CKMT2AMMP2HTR2A
SCHEMBL2798239 0.80 MAPT (0.50) HTR6HTR2CALDH1A1CYP3A4HTR2A
Hydrochloric Acid SCHEMBL20524629 0.79 HTR2C (0.50) HTR6HTR2CHTR2BHTR2A

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 HTR6 2021/4885HTR2C 1366/4885HTR1A 484/4885
US-20070219198-A1 11-Beta HSD 1 inhibitors HSD11B1, HSD11B2, HSD3B1 HTR6 1213/4885HTR2C 806/4885HTR1A 264/4885

“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.