SCHEMBL6095100

SCHEMBL6095100

CC(C)C[CH]C(=O)NCCN1CCN(S(=O)(=O)c2ccc(OC3CCNCC3)c(Cl)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 7/20 0.46
HTR2C P28335 3/20 0.41
KCNH2 Q12809 3/20 0.41
HTR2A P28223 1/20 0.41
NPC1 O15118 1/20 0.39
POLB P06746 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
ALDH1A1 P00352 1/20 0.38
PTGDR Q13258 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
SCHEMBL6839472 0.92 UTS2R (0.44) UTS2RHTR2CKCNH2HTR2ANPC1
SCHEMBL6097929 0.88 UTS2R (0.40) UTS2RNPC1POLBSMN1; SMN2KMT2A
SCHEMBL6839473 0.85 UTS2R (0.45) UTS2RHTR2CKCNH2HTR2ANPC1
SCHEMBL6096149 0.84 UTS2R (0.50) UTS2RHTR2C
SCHEMBL6093542 0.82 UTS2R (0.37) UTS2RSMN1; SMN2KMT2AGAAALDH1A1
SCHEMBL6598823 0.81 UTS2R (0.64) UTS2RHTR2C
SCHEMBL6097930 0.81 UTS2R (0.41) UTS2RNPC1POLBSMN1; SMN2KMT2A
SCHEMBL6094514 0.80 HRH3 (0.40) POLBSMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL6093569 0.80 UTS2R (0.46) UTS2RPOLBSMN1; SMN2KMT2AMEN1
SCHEMBL6193969 0.79 UTS2R (0.40) UTS2RNPC1POLBSMN1; SMN2KMT2A

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 6 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
EP-1381365-A4 PYRROLIDINE SULFONAMIDES SMITHKLINE BEECHAM CORP (US) 2005-03-23 EP claimed
US-20040138224-A1 Pyrrolidine sulfonamides SMITHKLINE BEECHAM CORPORATION 2004-07-15 US claimed
EP-1381365-A1 PYRROLIDINE SULFONAMIDES SmithKline Beecham Corporation (US) 2004-01-21 EP claimed
WO-2002078707-A1 PYRROLIDINE SULFONAMIDES SMITHKLINE BEECHAM CORPORATION (US) 2002-10-10 WO claimed

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 1/4885HTR2C 1373/4885KCNH2 3375/4885
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 1/4885HTR2C 245/4885KCNH2 1299/4885

“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.