SCHEMBL90417

SCHEMBL90417

CCNC(=O)c1ccc(OC)c(OCCCOC)c1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.67
SMPD1 P17405 5/20 0.64
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
CNR2 P34972 2/20 0.58
PDE4D Q08499 3/20 0.53
PDE4A P27815 2/20 0.53
PDE4B Q07343 2/20 0.53
PDE4C Q08493 2/20 0.53
POLB P06746 1/20 0.52
NR1H4 Q96RI1 1/20 0.51
HDAC3 O15379 1/20 0.51
HDAC2 Q92769 1/20 0.51
MAPT P10636 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
SLC6A5 Q9Y345 1/20 0.50

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
SCHEMBL13753805 0.87 TP53 (0.77) TP53SMPD1MEN1KMT2APDE4D
SCHEMBL918685 0.87 NR1H4 (0.64) TP53MEN1KMT2APOLBNR1H4
Hydrochloric Acid SCHEMBL9638632 0.85 NR1H4 (0.62) TP53MEN1KMT2APOLBNR1H4
SCHEMBL56262 0.84 MAPT (0.60) TP53SMPD1MEN1KMT2ACNR2
SCHEMBL30735682 0.83 SMPD1 (0.59) TP53SMPD1MEN1KMT2ACNR2
SCHEMBL5246330 0.83 SMPD1 (0.59) TP53SMPD1MEN1KMT2ACNR2
SCHEMBL8263100 0.83 MEN1 (0.59) TP53SMPD1MEN1KMT2APDE4B
SCHEMBL31053926 0.82 MAPK1 (0.63) TP53SMPD1MEN1KMT2APDE4D
SCHEMBL88998 0.82 CA12 (0.67) TP53SMPD1PDE4DPDE4APDE4B
SCHEMBL88815 0.82 KMT2A (0.62) TP53SMPD1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

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 TP53 3771/4885SMPD1 1027/4885MEN1 2336/4885

“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.