Sugi Predict

Sugi Predict / Compounds / SCHEMBL7864055

SCHEMBL7864055

SCHEMBL7864055

CC(C)CNc1cc(OCCCOCc2ccccc2)c(C(C)(C)O)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LNPEP Q9UIQ6 2/20 0.38
▸ ESR1 P03372 5/20 0.37
▸ HCAR3 P49019 1/20 0.36
▸ HCAR2 Q8TDS4 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.35
▸ TDP1 Q9NUW8 2/20 0.35
▸ ALOX5AP P20292 1/20 0.34
▸ PSMB11 A5LHX3 1/20 0.33
▸ PSMD11 O00231 1/20 0.33
▸ PSMD12 O00232 1/20 0.33
▸ PSMD14 O00487 1/20 0.33
▸ PSMA7 O14818 1/20 0.33
▸ PSMD3 O43242 1/20 0.33
▸ PSMC3 P17980 1/20 0.33
▸ PSMB1 P20618 1/20 0.33
▸ PSMA1 P25786 1/20 0.33
▸ PSMA2 P25787 1/20 0.33
▸ PSMA3 P25788 1/20 0.33
▸ PSMA4 P25789 1/20 0.33
▸ PSMB8 P28062 1/20 0.33

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
SCHEMBL7864050 0.84 ESR1 (0.40) LNPEPESR1HCAR3HCAR2KDM4E
SCHEMBL7858382 0.82 PDE10A (0.36) LNPEPESR1HCAR3HCAR2PDE10A
SCHEMBL7866740 0.79 ALDH1A1 (0.40) LNPEPESR1HCAR3HCAR2KDM4E
SCHEMBL7858398 0.76 PDE10A (0.45) ESR1HCAR3HCAR2PDE10A
SCHEMBL8621469 0.62 TSHR (0.70) KDM4ETDP1
SCHEMBL18698623 0.62 TSHR (0.48) KDM4ETDP1
SCHEMBL18616451 0.62 TSHR (0.52) TDP1
SCHEMBL26023524 0.61 TSHR (0.47) TDP1
SCHEMBL26189830 0.61 TSHR (0.67) KDM4ETDP1
SCHEMBL2574767 0.61 LIPE (0.71) KDM4ETDP1

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 LNPEP 3967/4885ESR1 979/4885HCAR3 1800/4885
US-20130005770-A1 ORGANIC COMPOUNDS REN, ACE, AGTR1 LNPEP 3967/4885ESR1 979/4885HCAR3 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.