SCHEMBL90695

SCHEMBL90695

CCOC[C@@H](N)C1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.41
EPHX1 P07099 2/20 0.37
DPP4 P27487 1/20 0.36
TP53 P04637 1/20 0.34
KDM4E B2RXH2 1/20 0.33
GMNN O75496 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 2/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL90701 1.00 SHBG (0.41) SHBGEPHX1DPP4TP53KDM4E
SCHEMBL17592723 0.84 SHBG (0.39) SHBGEPHX1DPP4TP53KDM4E
SCHEMBL89990 0.78 EPHX1 (0.39) SHBGEPHX1DPP4TP53KDM4E
SCHEMBL6219656 0.78 EPHX1 (0.39) SHBGEPHX1DPP4TP53KDM4E
SCHEMBL90261 0.78 EPHX1 (0.39) SHBGEPHX1DPP4TP53KDM4E
SCHEMBL1169716 0.78 SHBG (0.56) SHBGEPHX1TP53KDM4EGMNN
SCHEMBL1911127 0.77 SHBG (0.43) SHBGEPHX1TP53KDM4EGMNN
SCHEMBL9512108 0.77 SHBG (0.43) SHBGEPHX1TP53KDM4EGMNN
SCHEMBL13244488 0.77 SHBG (0.43) SHBGEPHX1TP53KDM4EGMNN
SCHEMBL27539164 0.76 SHBG (0.35) SHBGEPHX1DPP4ALDH1A1

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 16 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
US-8129411-B2 Organic compounds NOVARTIS AG (CH) 2012-03-06 US disclosed
US-8129411-B2 Organic compounds NOVARTIS AG (CH) 2012-03-06 US disclosed
EP-2420491-A1 3 , 5-substitued piperidine compounds as renin inhibitors Novartis AG (CH) 2012-02-22 EP disclosed
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 US disclosed
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 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
WO-2007077005-A1 3 , 5-SUBSTITΓUED PIPERIDINE COMPOUNDS AS RENIN INHIBITORS NOVARTIS AG (CH) 2007-07-12 WO 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 (3 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-20090192148-A1 Organic Compounds REN, ACE, AGTR1 SHBG 1439/4885EPHX1 363/4885DPP4 436/4885
US-20080319018-A1 ORGANIC COMPOUNDS REN, ACE, AGTR1 SHBG 573/4885EPHX1 268/4885DPP4 802/4885
US-20130005770-A1 ORGANIC COMPOUNDS REN, ACE, AGTR1 SHBG 573/4885EPHX1 268/4885DPP4 802/4885

“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.