SCHEMBL6096149

SCHEMBL6096149

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

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 14/20 0.50
TSHR P16473 1/20 0.40
HTR1A P08908 1/20 0.38
CYP2D6 P10635 1/20 0.38
DRD2 P14416 1/20 0.38
HTR1D P28221 1/20 0.38
HTR2C P28335 1/20 0.38
HTR1F P30939 1/20 0.38
HTR2B P41595 1/20 0.38
HTR6 P50406 1/20 0.38
CYP3A43 Q9HB55 1/20 0.38
SLC5A7 Q9GZV3 1/20 0.36

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
SCHEMBL6093569 0.96 UTS2R (0.46) UTS2RTSHRHTR6SLC5A7
SCHEMBL6839472 0.92 UTS2R (0.44) UTS2RHTR2CSLC5A7
SCHEMBL6094514 0.88 HRH3 (0.40) TSHR
SCHEMBL6097929 0.88 UTS2R (0.40) UTS2RHTR6
SCHEMBL6093542 0.85 UTS2R (0.37) UTS2RTSHRSLC5A7
SCHEMBL6095100 0.84 UTS2R (0.46) UTS2RHTR2C
SCHEMBL6744780 0.84 UTS2R (0.61) UTS2RHTR1ACYP2D6DRD2HTR1D
SCHEMBL6742625 0.84 UTS2R (0.61) UTS2RHTR1ACYP2D6DRD2HTR1D
SCHEMBL6096152 0.83 UTS2R (0.54) UTS2RTSHRHTR1ACYP2D6DRD2
SCHEMBL6192899 0.79 UTS2R (0.47) UTS2RTSHRHTR6

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.