SCHEMBL89354

SCHEMBL89354

O=C1CCc2ccc(NC3CC3)cc2N1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 10/20 0.53
CA9 Q16790 1/20 0.53
SMYD3 Q9H7B4 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
KDM4E B2RXH2 1/20 0.51
LMNA P02545 1/20 0.51
KMT2A Q03164 1/20 0.51
ALDH1A1 P00352 1/20 0.48
NPC1 O15118 1/20 0.46
MAPK13 O15264 1/20 0.46
MAPK12 P53778 1/20 0.46
MAPK11 Q15759 1/20 0.46
MAPK14 Q16539 1/20 0.46
CRBN Q96SW2 2/20 0.45
KIF11 P52732 1/20 0.43
DDB1 Q16531 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42

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
SCHEMBL2616860 0.79 CA9 (0.62) TRPV1CA9SMYD3SMN1; SMN2KDM4E
SCHEMBL13545275 0.79 CA9 (0.57) TRPV1CA9SMN1; SMN2KDM4ELMNA
SCHEMBL23432587 0.75 CA9 (0.53) TRPV1CA9SMN1; SMN2KDM4ELMNA
SCHEMBL8063798 0.75 CA9 (0.53) TRPV1CA9SMN1; SMN2KDM4ELMNA
SCHEMBL89384 0.75 SYK (0.36) TRPV1CA9SMYD3MAPK14CRBN
SCHEMBL89196 0.73 GAA (0.60) TRPV1SMYD3SMN1; SMN2KMT2AALDH1A1
SCHEMBL8245548 0.73 HTT (0.51) TRPV1SMN1; SMN2LMNAKMT2AALDH1A1
SCHEMBL28778385 0.72 CA9 (0.57) TRPV1CA9SMYD3SMN1; SMN2KDM4E
SCHEMBL29754420 0.72 CA9 (0.57) TRPV1CA9SMYD3SMN1; SMN2KDM4E
SCHEMBL3596364 0.71 HDAC3 (0.54) TRPV1CA9SMN1; SMN2KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1833816-B1 SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS NOVARTIS AG (CH) 2009-11-11 EP 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
WO-2007077005-A1 3 , 5-SUBSTITΓUED PIPERIDINE COMPOUNDS AS RENIN INHIBITORS NOVARTIS AG (CH) 2007-07-12 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 (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-20090192148-A1 Organic Compounds REN, ACE, AGTR1 TRPV1 319/4885CA9 630/4885SMYD3 2084/4885
US-20110263560-A1 Organic Compounds REN, ACE, OTC TRPV1 220/4885CA9 611/4885SMYD3 2177/4885
US-20090312304-A1 ORGANIC COMPOUNDS REN, ACE, PIGO TRPV1 217/4885CA9 501/4885SMYD3 2871/4885

“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.