SCHEMBL56875

SCHEMBL56875

Cc1cc(Oc2cc(C)c3ccccc3n2)nc2ccccc12

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.73
LMNA P02545 2/20 0.73
CYP1A2 P05177 1/20 0.62
BACE1 P56817 1/20 0.58
KDM4E B2RXH2 7/20 0.57
ALDH1A1 P00352 4/20 0.57
HPGD P15428 3/20 0.57
HSD17B10 Q99714 1/20 0.57
MAPT P10636 3/20 0.50
RAB9A P51151 2/20 0.50
HTT P42858 1/20 0.50
CTDSP1 Q9GZU7 1/20 0.50
POLB P06746 1/20 0.50
GAA P10253 3/20 0.49
NPFFR1 Q9GZQ6 1/20 0.49
NPFFR2 Q9Y5X5 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.47
ACHE P22303 1/20 0.47
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46

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
SCHEMBL29475389 1.00 L3MBTL1 (0.73) L3MBTL1LMNACYP1A2BACE1KDM4E
SCHEMBL8066981 0.91 LMNA (0.82) L3MBTL1LMNACYP1A2BACE1KDM4E
SCHEMBL423891 0.86 L3MBTL1 (0.71) L3MBTL1LMNACYP1A2BACE1KDM4E
SCHEMBL17787233 0.85 L3MBTL1 (0.59) L3MBTL1LMNACYP1A2BACE1KDM4E
SCHEMBL5391424 0.85 L3MBTL1 (0.59) L3MBTL1LMNACYP1A2BACE1KDM4E
SCHEMBL15483502 0.82 L3MBTL1 (0.56) L3MBTL1LMNACYP1A2BACE1KDM4E
SCHEMBL8273082 0.82 L3MBTL1 (0.56) L3MBTL1LMNACYP1A2BACE1KDM4E
SCHEMBL11352364 0.80 L3MBTL1 (0.55) L3MBTL1LMNACYP1A2BACE1KDM4E
SCHEMBL29502790 0.77 CYP1A2 (1.00) L3MBTL1LMNACYP1A2BACE1KDM4E
SCHEMBL1088580 0.77 CYP1A2 (0.69) L3MBTL1LMNACYP1A2BACE1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2181105-B1 N5-(2-ETHOXYETHYL)-N3-(2-PYRIDINYL)-3,5-PIPERIDINEDICARBOXAMIDE DERIVATIVES FOR USE AS RENIN INHIBITORS NOVARTIS AG (CH) 2015-04-29 EP disclosed
US-8497286-B2 Organic compounds NOVARTIS AG (CH) 2013-07-30 US disclosed
EP-2420491-B1 3 , 5-SUBSTITUED PIPERIDINE COMPOUNDS AS RENIN INHIBITORS NOVARTIS AG (CH) 2013-07-03 EP disclosed
US-8383650-B2 Organic compounds NOVARTIS AG (CH) 2013-02-26 US disclosed
US-20130005770-A1 ORGANIC COMPOUNDS NOVARTIS AG 2013-01-03 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-2181105-A1 N5-(2-ETHOXYETHYL)-N3-(2-PYRIDINYL)-3,5-PIPERIDINEDICARBOXAMIDE DERIVATIVES FOR USE AS RENIN INHIBITORS Novartis Ag (CH) 2010-05-05 EP disclosed
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 US disclosed
WO-2009000811-A1 N5-(2-ETHOXYETHYL)-N3-(2-PYRIDINYL)-3,5-PIPERIDINEDICARBOXAMIDE DERIVATIVES FOR USE AS RENIN INHIBITORS NOVARTIS AG (CH) 2008-12-31 WO disclosed
US-20080319018-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2008-12-25 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-1995013273-A1 ASYMMETRIC SYNTHESIS OF (S)-(-)-6-CHLORO-4-CYCLOPROPYL-3,4-DIHYDRO-4-[(2-PYRIDYL)ETHYNYL]-2(1H)-QUINAZOLINONE MERCK & CO., INC. (US) 1995-05-18 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 L3MBTL1 3031/4885LMNA 1594/4885CYP1A2 239/4885
US-20080319018-A1 ORGANIC COMPOUNDS REN, ACE, AGTR1 L3MBTL1 1772/4885LMNA 2118/4885CYP1A2 181/4885
US-20130005770-A1 ORGANIC COMPOUNDS REN, ACE, AGTR1 L3MBTL1 1772/4885LMNA 2118/4885CYP1A2 181/4885

“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.