SCHEMBL89196

SCHEMBL89196

O=C1COc2ccc(NC3CC3)cc2N1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.60
MMP12 P39900 1/20 0.55
ALDH1A1 P00352 2/20 0.54
MAPT P10636 2/20 0.54
SMYD3 Q9H7B4 1/20 0.54
KMT2A Q03164 2/20 0.52
PARP1 P09874 3/20 0.51
TRPV1 Q8NER1 8/20 0.51
PKM P14618 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49

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
SCHEMBL10588551 0.80 MMP12 (0.59) GAAMMP12ALDH1A1MAPTSMYD3
SCHEMBL13545305 0.80 MMP12 (0.64) GAAMMP12ALDH1A1MAPTKMT2A
SCHEMBL56945 0.74 KDM4E (0.50) ALDH1A1SMN1; SMN2
SCHEMBL8252715 0.74 JAK1 (0.40) GAAALDH1A1SMYD3TRPV1SMN1; SMN2
SCHEMBL17315432 0.74 PARP1 (0.54) GAAMMP12ALDH1A1MAPTSMYD3
SCHEMBL8192718 0.73 ALDH1A1 (0.77) GAAALDH1A1MAPTSMYD3KMT2A
SCHEMBL14073514 0.73 TRPV1 (0.59) ALDH1A1MAPTKMT2ATRPV1
SCHEMBL14073486 0.73 ALDH1A1 (0.60) ALDH1A1MAPTKMT2ATRPV1
SCHEMBL89354 0.73 TRPV1 (0.53) ALDH1A1SMYD3KMT2ATRPV1SMN1; SMN2
SCHEMBL3588732 0.72 MAPT (0.62) ALDH1A1MAPTKMT2ATRPV1

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
EP-2420491-B1 3 , 5-SUBSTITUED PIPERIDINE COMPOUNDS AS RENIN INHIBITORS NOVARTIS AG (CH) 2013-07-03 EP disclosed
US-8178559-B2 Organic compounds NOVARTIS AG (CH) 2012-05-15 US disclosed
US-8129411-B2 Organic compounds NOVARTIS AG (CH) 2012-03-06 US disclosed
US-8129411-B2 Organic compounds NOVARTIS AG (CH) 2012-03-06 US disclosed
EP-2420491-A1 3 , 5-substitued piperidine compounds as renin inhibitors Novartis AG (CH) 2012-02-22 EP disclosed
US-8084450-B2 Organic compounds NOVARTIS AG (CH) 2011-12-27 US disclosed
US-8084450-B2 Organic compounds NOVARTIS AG (CH) 2011-12-27 US disclosed
US-20110263560-A1 Organic Compounds NOVARTIS AG (CH) 2011-10-27 US disclosed
EP-2177518-A1 Organic compounds Novartis AG (CH) 2010-04-21 EP disclosed
US-20090312304-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-12-17 US disclosed
US-20090312304-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-12-17 US disclosed
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 US disclosed
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 US disclosed
US-20090137566-A1 Substituted Piperdines as Renin Inhibitors EHARA TAKERU 2009-05-28 US disclosed
US-20090137566-A1 Substituted Piperdines as Renin Inhibitors EHARA TAKERU 2009-05-28 US disclosed
WO-2007077005-A1 3 , 5-SUBSTITΓUED PIPERIDINE COMPOUNDS AS RENIN INHIBITORS NOVARTIS AG (CH) 2007-07-12 WO disclosed
WO-2006125621-A1 SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS NOVARTIS AG (CH) 2006-11-30 WO disclosed
WO-2006069788-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2006-07-06 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 (4 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-20090192148-A1 Organic Compounds REN, ACE, AGTR1 GAA 309/4885MMP12 1728/4885ALDH1A1 38/4885
US-20110263560-A1 Organic Compounds REN, ACE, OTC GAA 106/4885MMP12 2449/4885ALDH1A1 21/4885
US-20090137566-A1 Substituted Piperdines as Renin Inhibitors REN, ACE, AGTR1 GAA 149/4885MMP12 1205/4885ALDH1A1 127/4885
US-20090312304-A1 ORGANIC COMPOUNDS REN, ACE, PIGO GAA 78/4885MMP12 1899/4885ALDH1A1 36/4885

“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.