SCHEMBL89901

SCHEMBL89901

COC(=O)c1cc(NC2CC2)ccc1Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.56
KMT2A Q03164 7/20 0.56
LMNA P02545 4/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
MAPT P10636 4/20 0.53
HTT P42858 2/20 0.53
NPSR1 Q6W5P4 2/20 0.53
KDM4E B2RXH2 2/20 0.50
TSHR P16473 2/20 0.49
ALDH1A1 P00352 4/20 0.48
GAA P10253 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
USP2 O75604 1/20 0.46
CASR P41180 1/20 0.45
P2RX7 Q99572 1/20 0.45
POLB P06746 1/20 0.43
SLC6A3 Q01959 1/20 0.43
TP53 P04637 1/20 0.42
HPGD P15428 1/20 0.42
MAPK1 P28482 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
SCHEMBL89147 0.83 POLB (0.60) MEN1KMT2ASMN1; SMN2MAPTKDM4E
SCHEMBL13618139 0.81 P2RX7 (0.46) MEN1KMT2ALMNAMAPTHTT
SCHEMBL8834684 0.80 YAP1 (0.53) MEN1KMT2ASMN1; SMN2MAPTKDM4E
SCHEMBL89928 0.80 HPGD (0.61) KMT2ASMN1; SMN2MAPTKDM4EALDH1A1
SCHEMBL12611683 0.79 MEN1 (0.63) MEN1KMT2ALMNASMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL29205352 0.78 MEN1 (0.61) MEN1KMT2ALMNASMN1; SMN2MAPT
SCHEMBL1787738 0.78 MAPT (0.67) MEN1KMT2ALMNASMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL5837444 0.76 MAPT (0.65) MEN1KMT2ALMNASMN1; SMN2MAPT
SCHEMBL14499065 0.76 KMT2A (0.73) MEN1KMT2ALMNASMN1; SMN2MAPT
SCHEMBL8265233 0.76 ALDH1A1 (0.50) MEN1KMT2AMAPTKDM4EALDH1A1

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 MEN1 2336/4885KMT2A 3129/4885LMNA 1594/4885
US-20110263560-A1 Organic Compounds REN, ACE, OTC MEN1 2812/4885KMT2A 2850/4885LMNA 2153/4885
US-20090312304-A1 ORGANIC COMPOUNDS REN, ACE, PIGO MEN1 2792/4885KMT2A 3979/4885LMNA 1778/4885

“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.