SCHEMBL57408

SCHEMBL57408

COCCNC(=O)c1cc(CO)cc(OC)c1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.57
RECQL P46063 1/20 0.57
RAB9A P51151 1/20 0.57
KDM4E B2RXH2 1/20 0.51
GAA P10253 1/20 0.51
MAPT P10636 1/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
HPGD P15428 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 2/20 0.46
POLB P06746 2/20 0.46
TP53 P04637 1/20 0.46
RXFP1 Q9HBX9 1/20 0.45

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
SCHEMBL89065 0.88 NPC1 (0.57) NPC1RECQLRAB9AKDM4EGAA
SCHEMBL89288 0.87 NPC1 (0.56) NPC1RECQLRAB9AKDM4EGAA
SCHEMBL1911352 0.87 NPC1 (0.56) NPC1RECQLRAB9AKDM4EGAA
SCHEMBL89603 0.82 NPC1 (0.59) NPC1RECQLRAB9AKDM4EGAA
SCHEMBL3930459 0.81 PLK1 (0.51) NPC1RECQLRAB9AKDM4EGAA
SCHEMBL3579860 0.81 NPC1 (0.58) NPC1RECQLRAB9AKDM4EGAA
SCHEMBL89151 0.80 ALDH1A1 (0.53) NPC1RECQLRAB9AKDM4EGAA
SCHEMBL18509039 0.80 NPC1 (0.49) NPC1RECQLRAB9AKDM4EGAA
SCHEMBL8437113 0.79 KDM4E (0.71) NPC1RECQLRAB9AKDM4EGAA
SCHEMBL16087965 0.79 KMT2A (0.65) NPC1RECQLRAB9AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20100029647-A1 3,4,(5)-SUBSTITUTED TETRAHYDROPHYRIDINES NOVARTIS AG (CH) 2010-02-04 US disclosed
US-20100029647-A1 3,4,(5)-SUBSTITUTED TETRAHYDROPHYRIDINES NOVARTIS AG (CH) 2010-02-04 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-2006074924-A1 3,4,(5)-SUBSTITUTED TETRAHVDROPYRIDINES NOVARTIS AG (CH) 2006-07-20 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 (2 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-20100029647-A1 3,4,(5)-SUBSTITUTED TETRAHYDROPHYRIDINES REN, PAH, ACE NPC1 3663/4885RECQL 1272/4885RAB9A 639/4885
US-20090192148-A1 Organic Compounds REN, ACE, AGTR1 NPC1 2676/4885RECQL 657/4885RAB9A 500/4885

“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.