Sugi Predict

Sugi Predict / Compounds / SCHEMBL7864058

SCHEMBL7864058

SCHEMBL7864058

CC(C)COC(=O)c1cnc(Cl)cc1OCCCOCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.43
▸ TSHR P16473 2/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ POLB P06746 1/20 0.39
▸ PTGER1 P34995 1/20 0.39
▸ NMT1 P30419 2/20 0.39
▸ NAAA Q02083 1/20 0.37
▸ MCL1 Q07820 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ NR3C1 P04150 1/20 0.36
▸ BAK1 Q16611 1/20 0.36
▸ NMT2 O60551 1/20 0.36
▸ LNPEP Q9UIQ6 1/20 0.36

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
SCHEMBL7865247 0.85 PTGER1 (0.45) ALDH1A1PTGER1NAAAMCL1BAK1
SCHEMBL7866740 0.84 ALDH1A1 (0.40) ALDH1A1TSHRL3MBTL1CYP3A4MAPK1
SCHEMBL7869523 0.82 TSHR (0.41) ALDH1A1TSHRL3MBTL1TDP1KDM4E
SCHEMBL31467060 0.74 MCL1 (0.50) ALDH1A1PTGER1MCL1KDM4E
SCHEMBL26984529 0.74 MCL1 (0.50) ALDH1A1PTGER1MCL1KDM4E
SCHEMBL30593169 0.72 PTGER1 (0.58) ALDH1A1L3MBTL1POLBPTGER1MCL1
SCHEMBL18031279 0.72 PTGER1 (0.58) ALDH1A1L3MBTL1POLBPTGER1MCL1
SCHEMBL20756995 0.72 ALDH1A1 (0.50) ALDH1A1TSHRL3MBTL1CYP3A4TDP1
SCHEMBL18612054 0.71 NAAA (0.44) ALDH1A1TSHRL3MBTL1MAPK1NAAA
SCHEMBL26743470 0.70 TDP1 (0.43) ALDH1A1TSHRL3MBTL1MAPK1TDP1

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 1031/4885L3MBTL1 1772/4885
US-20130005770-A1 ORGANIC COMPOUNDS REN, ACE, AGTR1 ALDH1A1 114/4885TSHR 1031/4885L3MBTL1 1772/4885

“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.