SCHEMBL1913332

SCHEMBL1913332

CC(C)(C)OC(=O)N[C@H]1C[C@@H](C(=O)O)CN(C(=O)OCC2c3ccccc3-c3ccccc32)C1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
BTK Q06187 1/20 0.41
KDM1A O60341 1/20 0.40
MAOB P27338 1/20 0.40
TLR2 O60603 1/20 0.40
TLR1 Q15399 1/20 0.40
MDM2 Q00987 1/20 0.40
BACE1 P56817 1/20 0.40
FABP5 Q01469 3/20 0.39
FABP7 O15540 2/20 0.39
KCNA3 P22001 1/20 0.38
F10 P00742 1/20 0.38
EPHX2 P34913 1/20 0.38
CASP1 P29466 1/20 0.37

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
SCHEMBL1913192 1.00 KMT2A (0.43) KMT2AL3MBTL1BTKKDM1AMAOB
SCHEMBL1913190 1.00 KMT2A (0.43) KMT2AL3MBTL1BTKKDM1AMAOB
SCHEMBL1913212 1.00 KMT2A (0.43) KMT2AL3MBTL1BTKKDM1AMAOB
SCHEMBL14428332 0.93 KMT2A (0.44) KMT2AL3MBTL1KDM1AMAOBTLR2
SCHEMBL8249851 0.91 KMT2A (0.40) KMT2AL3MBTL1KDM1AMAOBTLR2
SCHEMBL19180879 0.91 KMT2A (0.40) KMT2AL3MBTL1KDM1AMAOBTLR2
SCHEMBL17101875 0.88 KMT2A (0.41) KMT2AL3MBTL1KDM1AMAOBTLR2
SCHEMBL4503172 0.87 TLR2 (0.41) KMT2AL3MBTL1KDM1AMAOBTLR2
SCHEMBL4503171 0.87 TLR2 (0.41) KMT2AL3MBTL1KDM1AMAOBTLR2
SCHEMBL17101892 0.86 KCNA3 (0.40) KMT2AL3MBTL1KDM1AMAOBTLR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163773-B2 Organic compounds NOVARTIS AG (CH) 2012-04-24 US disclosed
US-8163773-B2 Organic compounds NOVARTIS AG (CH) 2012-04-24 US disclosed
US-8163773-B2 Organic compounds NOVARTIS AG (CH) 2012-04-24 US disclosed
US-20090233920-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-09-17 US disclosed
US-20090233920-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-09-17 US disclosed
US-20080194629-A1 3-Mono-and 3,5-Disubstituted Piperidine Derivatives as Renin Inhibitors BAESCHLIN DANIEL KASPAR 2008-08-14 US disclosed
EP-1879882-A1 3 -M0N0- AND 3 , 5-DISUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS Novartis AG (CH) 2008-01-23 EP disclosed
WO-2007006534-A2 PIPERIDINE DERIVATIVES USEFUL IN THE DIAGNOSTIC AND THERAPEUTIC TREATMENT OF DISEASES DEPENDING ON RENIN ACTIVITY NOVARTIS AG (CH) 2007-01-18 WO disclosed
WO-2006117183-A1 3 -M0N0- AND 3 , 5-DISUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS NOVARTIS AG (CH) 2006-11-09 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-20090233920-A1 ORGANIC COMPOUNDS REN, ACE, AGTR1 KMT2A 3192/4885L3MBTL1 3191/4885BTK 1945/4885
US-20080194629-A1 3-Mono-and 3,5-Disubstituted Piperidine Derivatives as Renin Inhibitors REN, ACE, AGTR1 KMT2A 2465/4885L3MBTL1 4487/4885BTK 2708/4885

“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.