SCHEMBL6741634

SCHEMBL6741634

CC(C)C[C@H](N)C(=O)NC1CCCCN(S(=O)(=O)c2ccc(OC3CCNCC3)cc2)C1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 4/20 0.48
TSHR P16473 1/20 0.44
ALDH1A1 P00352 4/20 0.44
MMP2 P08253 1/20 0.40
CACNA1B Q00975 1/20 0.40
KMT2A Q03164 3/20 0.40
MAPK1 P28482 1/20 0.40
EPHX2 P34913 2/20 0.39
CYP19A1 P11511 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL6744737 0.94 UTS2R (0.53) UTS2RMMP2CACNA1BKMT2AMAPT
SCHEMBL6741883 0.94 UTS2R (0.53) UTS2RMMP2CACNA1BKMT2AMAPT
SCHEMBL6093953 0.89 UTS2R (0.48) UTS2RKMT2AEPHX2MAPTSMN1; SMN2
SCHEMBL6609118 0.87 UTS2R (0.65) UTS2RALDH1A1CACNA1BKMT2ASMN1; SMN2
SCHEMBL6609947 0.87 UTS2R (0.58) UTS2RALDH1A1CACNA1BKMT2ASMN1; SMN2
SCHEMBL6741630 0.83 UTS2R (0.46) UTS2RTSHRALDH1A1KMT2AMAPK1
SCHEMBL6741282 0.81 UTS2R (0.58) UTS2RCACNA1BKMT2ASMN1; SMN2MEN1
SCHEMBL6744784 0.81 UTS2R (0.70) UTS2RCACNA1B
SCHEMBL6742628 0.81 UTS2R (0.70) UTS2RCACNA1B
SCHEMBL6741197 0.80 UTS2R (0.52) UTS2RMMP2CACNA1BSMN1; 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.