Sugi Predict

Sugi Predict / Compounds / SCHEMBL7866740

SCHEMBL7866740

SCHEMBL7866740

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.40
▸ TSHR P16473 2/20 0.40
▸ HCAR3 P49019 1/20 0.38
▸ HCAR2 Q8TDS4 1/20 0.38
▸ TDP1 Q9NUW8 3/20 0.37
▸ L3MBTL1 Q9Y468 3/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ NMT1 P30419 1/20 0.37
▸ LNPEP Q9UIQ6 1/20 0.36
▸ ADRB2 P07550 2/20 0.36
▸ ADRB1 P08588 2/20 0.36
▸ ADRB3 P13945 2/20 0.36
▸ PTGER1 P34995 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ NAAA Q02083 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MAPT P10636 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
SCHEMBL7864058 0.84 ALDH1A1 (0.43) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL7858384 0.84 HCAR3 (0.38) ALDH1A1TSHRHCAR3HCAR2LNPEP
SCHEMBL7864050 0.81 ESR1 (0.40) ALDH1A1HCAR3HCAR2TDP1L3MBTL1
SCHEMBL7864055 0.79 LNPEP (0.38) HCAR3HCAR2TDP1KDM4ELNPEP
SCHEMBL7869550 0.78 ALDH1A1 (0.42) ALDH1A1TSHRHCAR3HCAR2KDM4E
SCHEMBL7864023 0.71 ABL1 (0.37) ALDH1A1TSHRHCAR3MAPK1
SCHEMBL18612054 0.69 NAAA (0.44) ALDH1A1TSHRL3MBTL1MAPK1KDM4E
SCHEMBL7865247 0.68 PTGER1 (0.45) ALDH1A1PTGER1RAB9ANAAA
SCHEMBL26743470 0.68 TDP1 (0.43) ALDH1A1TSHRTDP1L3MBTL1MAPK1
SCHEMBL23545817 0.67 TDP1 (0.45) ALDH1A1TSHRTDP1L3MBTL1MAPK1

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.