SCHEMBL7869550

SCHEMBL7869550

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
TSHR P16473 1/20 0.42
HCAR3 P49019 1/20 0.42
HCAR2 Q8TDS4 1/20 0.42
PDE10A Q9Y233 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
TP53 P04637 1/20 0.40
PDE4B Q07343 1/20 0.39
DPP4 P27487 2/20 0.37
KMT2A Q03164 2/20 0.37
ESR1 P03372 1/20 0.36
SYK P43405 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
PKM P14618 1/20 0.36
CDK5 Q00535 1/20 0.36
CDK5R1 Q15078 1/20 0.36
LMNA P02545 1/20 0.35
FYN P06241 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL7858384 0.87 HCAR3 (0.38) ALDH1A1TSHRHCAR3HCAR2PDE10A
SCHEMBL7864002 0.82 PDGFRB (0.42) ALDH1A1TSHRPDE10ASMN1; SMN2TP53
SCHEMBL7858396 0.74 PDE10A (0.46) HCAR3HCAR2PDE10AESR1GAA
SCHEMBL7858398 0.71 PDE10A (0.45) HCAR3HCAR2PDE10AESR1FYN
SCHEMBL7864023 0.71 ABL1 (0.37) ALDH1A1TSHRHCAR3POLB
SCHEMBL29196252 0.69 ALDH1A1 (0.54) ALDH1A1TSHRSMN1; SMN2TP53KMT2A
SCHEMBL25223063 0.68 KDM4E (0.51) ALDH1A1TSHRTP53DPP4KMT2A
SCHEMBL29196247 0.68 ALDH1A1 (0.53) ALDH1A1TSHRSMN1; SMN2TP53KMT2A
SCHEMBL827863 0.67 TSHR (0.70) ALDH1A1TSHRSMN1; SMN2TP53KMT2A
SCHEMBL29196239 0.67 ALDH1A1 (0.56) ALDH1A1TSHRSMN1; SMN2TP53KMT2A

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 10 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
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 ALDH1A1 114/4885TSHR 1031/4885HCAR3 1800/4885
US-20130005770-A1 ORGANIC COMPOUNDS REN, ACE, AGTR1 ALDH1A1 114/4885TSHR 1031/4885HCAR3 1800/4885

“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.