SCHEMBL1357636

SCHEMBL1357636

CC(C)(C)OC(=O)N1CCCC1c1nnn[nH]1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
TSHR P16473 6/20 0.46
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
LMNA P02545 4/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPT P10636 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
HTT P42858 1/20 0.40
NPC1 O15118 1/20 0.40

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
SCHEMBL1357634 1.00 ALDH1A1 (0.49) ALDH1A1TSHRKMT2AMEN1L3MBTL1
SCHEMBL5485878 0.96 ALDH1A1 (0.46) ALDH1A1TSHRKMT2AMEN1L3MBTL1
SCHEMBL19075663 0.84 RIPK1 (0.51) ALDH1A1TSHRKMT2AMEN1L3MBTL1
SCHEMBL19083795 0.83 TP53 (0.36) MAPT
SCHEMBL29022329 0.83 USP2 (0.40) ALDH1A1TSHRKMT2AMEN1L3MBTL1
SCHEMBL29022331 0.83 USP2 (0.40) ALDH1A1TSHRKMT2AMEN1L3MBTL1
SCHEMBL17457535 0.82 PEPD (0.33)
SCHEMBL5314180 0.80 RIPK1 (0.33)
SCHEMBL3852873 0.80 RIPK1 (0.33)
SCHEMBL17069042 0.80 ALDH1A1 (0.50) ALDH1A1TSHRKMT2AMEN1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021149814-A1 CATALYST FOR MANUFACTURING AMIDE COMPOUND, AND METHOD FOR MANUFACTURING AMIDE COMPOUND 学校法人中部大学 2021-07-29 WO disclosed
US-8338440-B2 Inhibitors of IAP NOVARTIS AG 2012-12-25 US disclosed
EP-2253614-B1 Inhibitors of IAP NOVARTIS AG (CH) 2012-09-19 EP disclosed
EP-1735307-B1 INHIBITORS OF IAP NOVARTIS AG (CH) 2012-08-29 EP disclosed
US-20120207769-A1 Inhibitors of IAP NOVARTIS AG (CH) 2012-08-16 US disclosed
US-8207183-B2 Inhibitors of IAP NOVARTIS AG (CH) 2012-06-26 US disclosed
US-20110281875-A1 Inhibitors of IAP NOVARTIS AG (CH) 2011-11-17 US disclosed
EP-2253614-A1 Inhibitors of IAP Novartis AG (CH) 2010-11-24 EP disclosed
US-20100184991-A1 PREPARATION OF TERAZOLE DERIVATIVES SEDELMEIER GOTTFRIED 2010-07-22 US disclosed
EP-2065368-A1 Inhibitors of IAP Novartis Ag (CH) 2009-06-03 EP disclosed
US-20080242658-A1 Inhibitors of Iap NOVARTIS AG (CH) 2008-10-02 US disclosed
US-7419975-B2 Organic compounds NOVARTIS AG (CH) 2008-09-02 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
WO-2007009716-A1 PREPARATION OF TERAZOLE DERIVATIVES NOVARTIS AG (CH) 2007-01-25 WO disclosed
EP-1735307-A1 INHIBITORS OF IAP Novartis AG (CH) 2006-12-27 EP disclosed
WO-2005097791-A1 INHIBITORS OF IAP NOVARTIS AG (CH) 2005-10-20 WO disclosed
US-20050234042-A1 Organic compounds PALERMO MARK G 2005-10-20 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 (6 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-20080242658-A1 Inhibitors of Iap XIAP, BIRC2, BIRC5 ALDH1A1 4526/4885TSHR 4426/4885KMT2A 4593/4885
US-20080200687-A1 Preparation of Terazole Derivatives TERB1, TALDO1, TERT ALDH1A1 812/4885TSHR 176/4885KMT2A 3778/4885
US-20100184991-A1 PREPARATION OF TERAZOLE DERIVATIVES TERB1, TALDO1, TERT ALDH1A1 812/4885TSHR 176/4885KMT2A 3778/4885
US-20110281875-A1 Inhibitors of IAP BIRC7, BIRC2, BIRC5 ALDH1A1 4329/4885TSHR 4589/4885KMT2A 4431/4885
US-20050234042-A1 Organic compounds AIFM1, BAX, API5 ALDH1A1 3393/4885TSHR 4805/4885KMT2A 4258/4885
US-20120207769-A1 Inhibitors of IAP BIRC7, BIRC2, BIRC5 ALDH1A1 4329/4885TSHR 4589/4885KMT2A 4431/4885

“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.