SCHEMBL6096152

SCHEMBL6096152

CC(C)C[C@H](N)C(=O)NCCN1CCN(S(=O)(=O)c2ccc(OC3CCNCC3)c(Br)c2)CC1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 13/20 0.54
TSHR P16473 1/20 0.41
HTR1A P08908 1/20 0.39
CYP2D6 P10635 1/20 0.39
DRD2 P14416 1/20 0.39
HTR1D P28221 1/20 0.39
HTR2C P28335 1/20 0.39
HTR1F P30939 1/20 0.39
HTR2B P41595 1/20 0.39
HTR6 P50406 1/20 0.39
CYP3A43 Q9HB55 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
POLB P06746 1/20 0.38
MCOLN3 Q8TDD5 1/20 0.38

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
SCHEMBL6093572 0.95 UTS2R (0.49) UTS2RTSHRHTR6MEN1KMT2A
SCHEMBL6839473 0.92 UTS2R (0.45) UTS2RHTR2CMEN1KMT2APOLB
SCHEMBL6094519 0.87 HRH3 (0.42) UTS2RTSHRMEN1KMT2A
SCHEMBL6097930 0.87 UTS2R (0.41) UTS2RMEN1KMT2APOLB
SCHEMBL6608407 0.86 UTS2R (0.64) UTS2RHTR1ACYP2D6DRD2HTR1D
SCHEMBL6093548 0.84 UTS2R (0.39) UTS2RTSHRKMT2A
SCHEMBL6742628 0.83 UTS2R (0.70) UTS2RHTR1ACYP2D6DRD2HTR1D
SCHEMBL6744784 0.83 UTS2R (0.70) UTS2RHTR1ACYP2D6DRD2HTR1D
SCHEMBL6096149 0.83 UTS2R (0.50) UTS2RTSHRHTR1ACYP2D6DRD2
SCHEMBL6609118 0.81 UTS2R (0.65) UTS2RHTR1ACYP2D6DRD2HTR1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7019008-B2 Pyrrolidine sulfonamides SMITHKLINE BEECHAM CORPORATION (US) 2006-03-28 US claimed
US-20050197345-A1 urotensin II receptor antagonists; cardiovascular disorders; vasodilating agents; Benzo[b]thiophene-2-carboxylic acid [(S)-1-(2-{4-[3-chloro-4-(piperidin-4-yloxy)-benzenesulfonyl]-piperazin-1-yl}-ethylcarbamoyl)-3-methyl-butyl]- SMITHKLINE BEECHAM CORPORATION 2005-09-08 US claimed
US-20040138224-A1 Pyrrolidine sulfonamides SMITHKLINE BEECHAM CORPORATION 2004-07-15 US claimed
US-20040138224-A1 Pyrrolidine sulfonamides SMITHKLINE BEECHAM CORPORATION 2004-07-15 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-20040138224-A1 Pyrrolidine sulfonamides UTS2R, PRSS2, PRSS8 UTS2R 1/4885TSHR 1477/4885HTR1A 3467/4885
US-20050197345-A1 urotensin II receptor antagonists; cardiovascular disorders; vasodilating agents; Benzo[b]thiophene-2-carboxylic acid [(S)-1-(2-{4-[3-chloro-4-(piperidin-4-yloxy)-benzenesulfonyl]-piperazin-1-yl}-ethylcarbamoyl)-3-methyl-butyl]- UTS2R, PLAUR, NTSR2 UTS2R 1/4885TSHR 680/4885HTR1A 617/4885

“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.