SCHEMBL56945

SCHEMBL56945

CC1(C)Oc2ccc(NC3CC3)cc2NC1=O

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
BRD4 O60885 9/20 0.49
POLB P06746 2/20 0.48
HPGD P15428 1/20 0.48
NPC1 O15118 1/20 0.46
PDE3B Q13370 2/20 0.46
PDE3A Q14432 2/20 0.46
SYK P43405 2/20 0.41
JAK1 P23458 1/20 0.40
JAK3 P52333 1/20 0.40
CYP19A1 P11511 1/20 0.39

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
SCHEMBL8252715 0.83 JAK1 (0.40) KDM4EALDH1A1SMN1; SMN2BRD4SYK
SCHEMBL13545259 0.81 KDM4E (0.56) KDM4EALDH1A1SMN1; SMN2BRD4POLB
SCHEMBL1709929 0.76 SYK (0.70) SYKJAK1JAK3
SCHEMBL89196 0.74 GAA (0.60) ALDH1A1SMN1; SMN2
SCHEMBL17315362 0.74 KDM4E (0.55) KDM4EALDH1A1SMN1; SMN2BRD4POLB
SCHEMBL89384 0.73 SYK (0.36) BRD4POLBSYK
SCHEMBL3711753 0.73 SYK (0.68) SYKJAK1JAK3
SCHEMBL89103 0.72 KDM4E (0.56) KDM4EALDH1A1SMN1; SMN2BRD4POLB
SCHEMBL445148 0.71 KDM4E (0.58) KDM4EALDH1A1SMN1; SMN2BRD4POLB
SCHEMBL1634782 0.71 KDM4E (0.55) KDM4EALDH1A1SMN1; SMN2BRD4POLB

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 12 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-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
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
EP-2420491-A1 3 , 5-substitued piperidine compounds as renin inhibitors Novartis AG (CH) 2012-02-22 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
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 US disclosed
EP-1968940-A1 3 , 5-SUBSTITUED PIPERIDINE COMPOUNDS AS RENIN INHIBITORS Novartis AG (CH) 2008-09-17 EP disclosed
WO-2007077005-A1 3 , 5-SUBSTITΓUED PIPERIDINE COMPOUNDS AS RENIN INHIBITORS NOVARTIS AG (CH) 2007-07-12 WO disclosed
WO-2007077005-A1 3 , 5-SUBSTITΓUED PIPERIDINE COMPOUNDS AS RENIN INHIBITORS NOVARTIS AG (CH) 2007-07-12 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 (1 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 KDM4E 1650/4885ALDH1A1 38/4885SMN1; SMN2 1867/4885

“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.