SCHEMBL2991740

SCHEMBL2991740

O=C(OCc1ccccc1)N1CCC[C@H]1c1nn[nH]n1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.54
PREP P48147 3/20 0.47
AADAT Q8N5Z0 1/20 0.47
TMEM97 Q5BJF2 2/20 0.47
SIGMAR1 Q99720 2/20 0.47
PEPD P12955 1/20 0.47
XPNPEP1 Q9NQW7 1/20 0.47

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
SCHEMBL2991741 1.00 ACE (0.54) ACEPREPAADATTMEM97SIGMAR1
SCHEMBL2995733 1.00 ACE (0.54) ACEPREPAADATTMEM97SIGMAR1
SCHEMBL29277932 0.82 PREP (0.52) PREPAADATTMEM97SIGMAR1
SCHEMBL13246605 0.80 TMEM97 (0.49) PREPAADATTMEM97SIGMAR1
SCHEMBL672317 0.80 TMEM97 (0.49) PREPAADATTMEM97SIGMAR1
SCHEMBL4521587 0.80 TMEM97 (0.49) PREPAADATTMEM97SIGMAR1
SCHEMBL29097370 0.79 TMEM97 (0.55) PREPAADATTMEM97SIGMAR1
SCHEMBL2996181 0.79 TMEM97 (0.51) PREPAADATTMEM97SIGMAR1
SCHEMBL2996185 0.79 TMEM97 (0.51) PREPAADATTMEM97SIGMAR1
SCHEMBL20202187 0.77 AADAT (0.51) PREPAADATTMEM97SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100184991-A1 PREPARATION OF TERAZOLE DERIVATIVES SEDELMEIER GOTTFRIED 2010-07-22 US disclosed
US-20100184991-A1 PREPARATION OF TERAZOLE DERIVATIVES SEDELMEIER GOTTFRIED 2010-07-22 US disclosed
US-20100184991-A1 PREPARATION OF TERAZOLE DERIVATIVES SEDELMEIER GOTTFRIED 2010-07-22 US disclosed
US-20080200687-A1 Preparation of Terazole Derivatives SEDELMEIER GOTTFRIED 2008-08-21 US disclosed
US-20080200687-A1 Preparation of Terazole Derivatives SEDELMEIER GOTTFRIED 2008-08-21 US disclosed
US-20080200687-A1 Preparation of Terazole Derivatives SEDELMEIER GOTTFRIED 2008-08-21 US disclosed
EP-1907378-A1 PREPARATION OF TERAZOLE DERIVATIVES Novartis AG (CH) 2008-04-09 EP disclosed
US-20070232601-A1 Vla-4 Inhibitor DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-10-04 US disclosed
US-20070232601-A1 Vla-4 Inhibitor DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-10-04 US disclosed
WO-2007067904-A2 PEPTIDE DEFORMYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2007-06-14 WO disclosed
WO-2007009716-A1 PREPARATION OF TERAZOLE DERIVATIVES NOVARTIS AG (CH) 2007-01-25 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 (3 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-20080200687-A1 Preparation of Terazole Derivatives TERB1, TALDO1, TERT ACE 2407/4885PREP 2708/4885AADAT 3098/4885
US-20070232601-A1 Vla-4 Inhibitor VCAM1, ITGB4, ITGA4 ACE 2687/4885PREP 2026/4885AADAT 2105/4885
US-20100184991-A1 PREPARATION OF TERAZOLE DERIVATIVES TERB1, TALDO1, TERT ACE 2407/4885PREP 2708/4885AADAT 3098/4885

“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.