SCHEMBL7865247

SCHEMBL7865247

O=C(O)c1cnc(Cl)cc1OCCCOCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 2/20 0.45
MCL1 Q07820 3/20 0.44
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
PTK2B Q14289 1/20 0.41
FOLH1 Q04609 1/20 0.41
ALKBH1 Q13686 2/20 0.41
P4HTM Q9NXG6 1/20 0.41
BAK1 Q16611 1/20 0.40
FAAH O00519 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
NAAA Q02083 1/20 0.39

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
SCHEMBL18031279 0.86 PTGER1 (0.58) PTGER1MCL1ALDH1A1KMT2AFOLH1
SCHEMBL30593169 0.86 PTGER1 (0.58) PTGER1MCL1ALDH1A1KMT2AFOLH1
SCHEMBL7864058 0.85 ALDH1A1 (0.43) PTGER1MCL1ALDH1A1BAK1NAAA
SCHEMBL7866706 0.78 MEN1 (0.39) ALDH1A1KMT2ANPC1RAB9A
SCHEMBL8668088 0.76 ALDH1A1 (0.66) PTGER1ALDH1A1KMT2APTK2BFOLH1
SCHEMBL26984529 0.75 MCL1 (0.50) PTGER1MCL1ALDH1A1FOLH1NPC1
SCHEMBL31467060 0.75 MCL1 (0.50) PTGER1MCL1ALDH1A1FOLH1NPC1
SCHEMBL8667447 0.75 ALDH1A1 (0.64) PTGER1ALDH1A1KMT2APTK2BFOLH1
SCHEMBL5252361 0.74 FOLH1 (0.52) PTGER1MCL1ALDH1A1KMT2AFOLH1
SCHEMBL21679225 0.74 RAB9A (0.54) ALDH1A1KMT2AALKBH1NPC1RAB9A

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 PTGER1 113/4885MCL1 4548/4885ALDH1A1 114/4885
US-20130005770-A1 ORGANIC COMPOUNDS REN, ACE, AGTR1 PTGER1 113/4885MCL1 4548/4885ALDH1A1 114/4885

“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.