SCHEMBL5262389

SCHEMBL5262389

COc1cccc(C(=O)N(C)C2CCCCC2)c1N

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.56
TSHR P16473 2/20 0.56
TRPM8 Q7Z2W7 1/20 0.46
ALDH1A1 P00352 3/20 0.45
MAPT P10636 2/20 0.45
ALOX12 P18054 1/20 0.45
HSD11B1 P28845 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
GAA P10253 1/20 0.44
LMNA P02545 1/20 0.43
ABCC1 P33527 1/20 0.42
MAPK1 P28482 1/20 0.42
MGLL Q99685 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
KCNH2 Q12809 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL5260286 0.84 TRPM8 (0.48) HPGDTSHRTRPM8MAPTSMN1; SMN2
SCHEMBL27605849 0.83 HPGD (0.51) HPGDTSHRTRPM8ALDH1A1MAPT
SCHEMBL5260525 0.82 HPGD (0.59) HPGDTSHRALDH1A1MAPTHSD11B1
SCHEMBL3455753 0.80 HPGD (0.54) HPGDTSHRTRPM8ALDH1A1MAPT
SCHEMBL4575934 0.78 KEAP1 (0.45) HPGDALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL9001760 0.78 TSHR (0.79) HPGDTSHRALDH1A1MAPTHSD11B1
SCHEMBL5262823 0.77 HPGD (0.68) HPGDTSHRTRPM8ALDH1A1MAPT
SCHEMBL27686645 0.77 HPGD (0.59) HPGDTSHRALDH1A1MAPTHSD11B1
SCHEMBL12260865 0.77 HPGD (0.59) HPGDTSHRALDH1A1MAPTHSD11B1
SCHEMBL3456172 0.76 HPGD (0.55) HPGDTSHRTRPM8ALDH1A1MAPT

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-20070238763-A1 Urea derivatives as integrin a4 antagonists LABORATORIOS ALMIRALL, S.A. 2007-10-11 US disclosed
EP-1383750-B1 UREA DERIVATIVES AS INTEGRIN ALPHA 4 ANTAGONISTS ALMIRALL LAB (ES) 2007-09-26 EP disclosed
US-7253171-B2 Urea derivatives as integrin α4 antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2007-08-07 US disclosed
US-20040142982-A1 Urea derivatives as integrin alpha 4 antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2004-07-22 US disclosed
EP-1383750-A2 UREA DERIVATIVES AS INTEGRIN ALPHA 4 ANTAGONISTS Almirall Prodesfarma, S.A. (ES) 2004-01-28 EP disclosed
WO-2002057242-A2 UREA DERIVATIVES AS INTEGRIN ALPHA 4 ANTAGONISTS ALMIRALL PRODESFARMA, S.A. (ES) 2002-07-25 WO 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-20040142982-A1 Urea derivatives as integrin alpha 4 antagonists ITGA4, ITGB4, ITGA1 HPGD 3797/4885TSHR 655/4885TRPM8 1813/4885
US-20070238763-A1 Urea derivatives as integrin a4 antagonists ITGB4, ITGA4, ITGB7 HPGD 3032/4885TSHR 1951/4885TRPM8 1171/4885

“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.