Sugi Predict

Sugi Predict / Compounds / SCHEMBL7864050

SCHEMBL7864050

SCHEMBL7864050

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 6/20 0.40
▸ HCAR3 P49019 1/20 0.36
▸ HCAR2 Q8TDS4 1/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ HTT P42858 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ HRH4 Q9H3N8 1/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ LNPEP Q9UIQ6 1/20 0.35
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34

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
SCHEMBL7864055 0.84 LNPEP (0.38) ESR1HCAR3HCAR2KDM4ETDP1
SCHEMBL7866740 0.81 ALDH1A1 (0.40) ESR1HCAR3HCAR2ALDH1A1KDM4E
SCHEMBL7869509 0.80 PDE10A (0.37) ESR1HCAR3HCAR2KMT2AMEN1
SCHEMBL7858396 0.73 PDE10A (0.46) ESR1HCAR3HCAR2HRH4
SCHEMBL13778593 0.66 HTR1A (0.44) KMT2AALDH1A1MEN1HTTSMN1; SMN2
SCHEMBL8621469 0.66 TSHR (0.70) KDM4ETDP1HRH4HRH3L3MBTL1
SCHEMBL22448625 0.66 MAPK1 (0.47) ALDH1A1HTTSMN1; SMN2TDP1MAPT
SCHEMBL22448645 0.66 GLRA1 (0.48) ALDH1A1HTTSMN1; SMN2TDP1MAPT
SCHEMBL25146420 0.65 MAPK1 (0.53) ALDH1A1HTTSMN1; SMN2TDP1MAPT
SCHEMBL18616451 0.65 TSHR (0.52) KMT2AALDH1A1MEN1HTTSMN1; SMN2

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 ESR1 979/4885HCAR3 1800/4885HCAR2 1649/4885
US-20130005770-A1 ORGANIC COMPOUNDS REN, ACE, AGTR1 ESR1 979/4885HCAR3 1800/4885HCAR2 1649/4885

“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.