SCHEMBL55503

SCHEMBL55503

COCCCN1C(=O)COc2ccc(N)cc21

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
REN P00797 1/20 0.61
TSHR P16473 3/20 0.55
POLB P06746 4/20 0.47
KDM4E B2RXH2 1/20 0.47
TP53 P04637 2/20 0.46
THRB P10828 2/20 0.46
MAPT P10636 1/20 0.46
KMO O15229 1/20 0.44
HTT P42858 1/20 0.43
DRD2 P14416 1/20 0.43
HTR2A P28223 1/20 0.43
MCHR1 Q99705 1/20 0.43
BRD4 O60885 1/20 0.43
KMT2A Q03164 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
SCHEMBL8264865 0.96 REN (0.57) RENTSHRPOLBKDM4ETP53
SCHEMBL1047741 0.86 REN (0.57) RENTSHRPOLBKDM4ETP53
SCHEMBL89401 0.86 TSHR (0.71) RENTSHRPOLBTP53THRB
SCHEMBL6508989 0.85 REN (0.56) RENTSHRPOLBKDM4ETP53
SCHEMBL6721804 0.85 REN (0.56) RENTSHRPOLBKDM4ETP53
SCHEMBL8266002 0.85 POLB (0.49) RENTSHRPOLBTP53THRB
SCHEMBL8879108 0.84 HTT (0.47) RENTSHRPOLBKDM4EKMO
SCHEMBL927855 0.84 REN (0.55) RENTSHRPOLBKDM4ETP53
SCHEMBL3065160 0.84 REN (0.55) RENTSHRPOLBKDM4ETP53
SCHEMBL328352 0.83 KMO (0.50) RENTSHRPOLBTP53THRB

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 28 patents — showing the first 20. 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-8178559-B2 Organic compounds NOVARTIS AG (CH) 2012-05-15 US disclosed
US-8163773-B2 Organic compounds NOVARTIS AG (CH) 2012-04-24 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-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
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 US disclosed
US-20080242662-A1 Organic Compounds NIHONYANAGI ATSUKO 2008-10-02 US disclosed
US-20080242662-A1 Organic Compounds NIHONYANAGI ATSUKO 2008-10-02 US disclosed
EP-1968940-A1 3 , 5-SUBSTITUED PIPERIDINE COMPOUNDS AS RENIN INHIBITORS Novartis AG (CH) 2008-09-17 EP disclosed
EP-1907359-A2 3,5-SUBSTITUTED PIPERIDINE DERIVATIVES EFFECTIVE ON RENIN-RELATED DISORDERS Novartis AG (CH) 2008-04-09 EP disclosed
WO-2007077005-A1 3 , 5-SUBSTITΓUED PIPERIDINE COMPOUNDS AS RENIN INHIBITORS NOVARTIS AG (CH) 2007-07-12 WO 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-2006128659-A2 PIPERAZINE DERIVATIVE RENIN INHIBITORS. NOVARTIS AG (CH) 2006-12-07 WO disclosed
WO-2006094763-A1 3,4,5-SUBSTITUTED PIPERIDINE COMPOUNDS NOVARTIS AG (CH) 2006-09-14 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-20080242662-A1 Organic Compounds REN, ACE, ECE1 REN 1/4885TSHR 2291/4885POLB 1010/4885
US-20090192148-A1 Organic Compounds REN, ACE, AGTR1 REN 1/4885TSHR 1095/4885POLB 589/4885
US-20110263560-A1 Organic Compounds REN, ACE, OTC REN 1/4885TSHR 2757/4885POLB 663/4885

“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.