SCHEMBL7864002

SCHEMBL7864002

COc1cc(NC2CC2)ncc1C(=O)OCC(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 6/20 0.42
PDGFRA P16234 6/20 0.42
EGFR P00533 1/20 0.40
INSR P06213 1/20 0.40
LCK P06239 1/20 0.40
PDE10A Q9Y233 3/20 0.40
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
PKM P14618 1/20 0.39
CHEK1 O14757 1/20 0.38
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ABL1 P00519 1/20 0.37
TP53 P04637 1/20 0.37
GAA P10253 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL7864023 0.88 ABL1 (0.37) PDGFRBPDGFRAALDH1A1TSHRABL1
SCHEMBL7869550 0.82 ALDH1A1 (0.42) PDE10AALDH1A1TSHRPKMSMN1; SMN2
SCHEMBL90675 0.77 KMT2A (0.40) PDGFRBPDGFRAEGFRINSRLCK
SCHEMBL7858376 0.73 PDGFRB (0.47) PDGFRBPDGFRAEGFRINSRLCK
SCHEMBL7858384 0.70 HCAR3 (0.38) PDE10AALDH1A1TSHRKMT2AABL1
SCHEMBL7866696 0.70 CYP3A4 (0.49) PDGFRBPDGFRAPDE10ATSHRNOS3
SCHEMBL23304304 0.68 HCAR3 (0.52) PDGFRBPDGFRAEGFRINSRLCK
SCHEMBL30290425 0.68 HCAR3 (0.52) PDGFRBPDGFRAEGFRINSRLCK
SCHEMBL25501615 0.67 HCAR3 (0.42) PDGFRBPDGFRAALDH1A1TSHRSMN1; SMN2
SCHEMBL29196252 0.66 ALDH1A1 (0.54) ALDH1A1TSHRSMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2527338-B1 N5-(2-ETHOXYETHYL)-N3-(2-PYRIDINYL) -3,5-PIPERIDINEDICARBOXAMIDE DERIVATIVES FOR USE AS RENIN INHIBITORS NOVARTIS AG (CH) 2015-05-06 EP disclosed
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
US-8497286-B2 Organic compounds NOVARTIS AG (CH) 2013-07-30 US disclosed
US-8383650-B2 Organic compounds NOVARTIS AG (CH) 2013-02-26 US 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-20130005770-A1 ORGANIC COMPOUNDS NOVARTIS AG 2013-01-03 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
US-20080319018-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2008-12-25 US 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-20080319018-A1 ORGANIC COMPOUNDS REN, ACE, AGTR1 PDGFRB 2329/4885PDGFRA 1970/4885EGFR 3578/4885
US-20130005770-A1 ORGANIC COMPOUNDS REN, ACE, AGTR1 PDGFRB 2329/4885PDGFRA 1970/4885EGFR 3578/4885

“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.