SCHEMBL6094514

SCHEMBL6094514

C[C@@H](C[CH]C(=O)NCCN1CCN(S(=O)(=O)c2ccc(OC3CCNCC3)cc2)CC1)C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
MAPT P10636 3/20 0.40
ALDH1A1 P00352 2/20 0.39
TSHR P16473 1/20 0.39
RECQL P46063 1/20 0.39
USP5 P45974 1/20 0.39
LMNA P02545 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
RAB9A P51151 1/20 0.37
TGM2 P21980 1/20 0.36
POLB P06746 1/20 0.36
ADRB2 P07550 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
SCHEMBL6839472 0.88 UTS2R (0.44) SMN1; SMN2LMNAMEN1KMT2APOLB
SCHEMBL6096149 0.88 UTS2R (0.50) TSHR
SCHEMBL6093542 0.87 UTS2R (0.37) SMN1; SMN2ALDH1A1TSHRRECQLKMT2A
SCHEMBL6093947 0.85 SMN1; SMN2 (0.44) SMN1; SMN2MAPTUSP5LMNAMEN1
SCHEMBL6097929 0.84 UTS2R (0.40) SMN1; SMN2LMNAMEN1KMT2APOLB
SCHEMBL6093569 0.83 UTS2R (0.46) SMN1; SMN2ALDH1A1TSHRMEN1KMT2A
SCHEMBL6744733 0.82 UTS2R (0.44) HRH3SMN1; SMN2MAPTUSP5LMNA
SCHEMBL6191929 0.82 HRH3 (0.41) HRH3SMN1; SMN2MAPTALDH1A1TSHR
SCHEMBL6741880 0.82 UTS2R (0.44) HRH3SMN1; SMN2MAPTUSP5LMNA
SCHEMBL6845059 0.82 ALDH1A1 (0.43) HRH3SMN1; SMN2MAPTALDH1A1TSHR

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 9 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
US-7019008-B2 Pyrrolidine sulfonamides SMITHKLINE BEECHAM CORPORATION (US) 2006-03-28 US disclosed
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 disclosed
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 HRH3 1428/4885SMN1; SMN2 1697/4885MAPT 2548/4885
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 HRH3 1315/4885SMN1; SMN2 2254/4885MAPT 3297/4885

“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.