SCHEMBL89147

SCHEMBL89147

O=C(O)c1cc(NC2CC2)ccc1Cl

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 7/20 0.60
NPC1 O15118 5/20 0.60
RAB9A P51151 5/20 0.60
MAPT P10636 5/20 0.60
KDM4E B2RXH2 4/20 0.60
TDP1 Q9NUW8 3/20 0.60
ALDH1A1 P00352 3/20 0.50
TP53 P04637 1/20 0.50
SMN1; SMN2 Q16637 4/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
GAA P10253 4/20 0.48
PLA2G1B P04054 1/20 0.48
ATG4B Q9Y4P1 1/20 0.48
P2RX7 Q99572 1/20 0.47
GSK3B P49841 3/20 0.47
GFER P55789 1/20 0.44
CCNA2 P20248 1/20 0.43
CDK2 P24941 1/20 0.43

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
SCHEMBL13618139 0.85 P2RX7 (0.46) POLBNPC1RAB9AMAPTKDM4E
SCHEMBL89901 0.83 MEN1 (0.56) POLBMAPTKDM4EALDH1A1TP53
SCHEMBL15268114 0.77 POLB (0.70) POLBNPC1RAB9AMAPTKDM4E
SCHEMBL8265233 0.76 ALDH1A1 (0.50) POLBMAPTKDM4EALDH1A1MEN1
SCHEMBL28788564 0.75 POLB (1.00) POLBNPC1RAB9AMAPTKDM4E
SCHEMBL27222158 0.75 ALDH1A1 (0.48) POLBNPC1RAB9AMAPTKDM4E
SCHEMBL29783519 0.75 ALDH1A1 (0.48) POLBNPC1RAB9AMAPTKDM4E
SCHEMBL89928 0.75 HPGD (0.61) MAPTKDM4EALDH1A1SMN1; SMN2KMT2A
SCHEMBL13544509 0.74 MEN1 (0.53) POLBNPC1RAB9AMAPTKDM4E
SCHEMBL2492827 0.74 HPGD (0.56) POLBNPC1RAB9AMAPTKDM4E

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 17 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-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
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 POLB 589/4885NPC1 2676/4885RAB9A 500/4885
US-20110263560-A1 Organic Compounds REN, ACE, OTC POLB 663/4885NPC1 2742/4885RAB9A 790/4885
US-20090312304-A1 ORGANIC COMPOUNDS REN, ACE, PIGO POLB 277/4885NPC1 1874/4885RAB9A 638/4885

“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.