SCHEMBL6741630

SCHEMBL6741630

CC(C[CH]C(=O)N[C@H]1CCCCN(S(=O)(=O)c2ccc(OC3CCNCC3)cc2)C1)C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 4/20 0.46
TSHR P16473 1/20 0.42
ALDH1A1 P00352 4/20 0.42
KMT2A Q03164 4/20 0.38
MEN1 O00255 2/20 0.38
MAPK1 P28482 2/20 0.38
CYP19A1 P11511 1/20 0.38
EPHX2 P34913 2/20 0.38
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
USP2 O75604 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
SCHEMBL6744733 0.94 UTS2R (0.44) UTS2RKMT2AMEN1MAPTSMN1; SMN2
SCHEMBL6741880 0.94 UTS2R (0.44) UTS2RKMT2AMEN1MAPTSMN1; SMN2
SCHEMBL6093947 0.89 SMN1; SMN2 (0.44) UTS2RKMT2AMEN1EPHX2MAPT
SCHEMBL6741634 0.83 UTS2R (0.48) UTS2RTSHRALDH1A1KMT2AMEN1
SCHEMBL6741280 0.82 UTS2R (0.55) UTS2RKMT2AMEN1SMN1; SMN2
SCHEMBL6742625 0.82 UTS2R (0.61) UTS2R
SCHEMBL6744780 0.82 UTS2R (0.61) UTS2R
SCHEMBL6741196 0.81 UTS2R (0.48) UTS2RSMN1; SMN2
SCHEMBL6094514 0.80 HRH3 (0.40) TSHRALDH1A1KMT2AMEN1MAPT
SCHEMBL6744737 0.77 UTS2R (0.53) UTS2RKMT2AMEN1MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040152692-A1 Urotensin antagonist; therapy for congestive heart failure; antiischemic agents; cardiovascular disorders; strokes; hypotensive agents; respiratory system disorders; restenosis; antiinflammatory agents; psychological disorders SMITHKLINE BEECHAM CORPORATION 2004-08-05 US claimed
US-20040152692-A1 Urotensin antagonist; therapy for congestive heart failure; antiischemic agents; cardiovascular disorders; strokes; hypotensive agents; respiratory system disorders; restenosis; antiinflammatory agents; psychological disorders SMITHKLINE BEECHAM CORPORATION 2004-08-05 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 (1 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-20040152692-A1 Urotensin antagonist; therapy for congestive heart failure; antiischemic agents; cardiovascular disorders; strokes; hypotensive agents; respiratory system disorders; restenosis; antiinflammatory agents; psychological disorders UTS2R, PLAUR, SERPINE1 UTS2R 1/4885TSHR 523/4885ALDH1A1 2527/4885

“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.