SCHEMBL90580

SCHEMBL90580

CCOC1(CNC(=O)OC(C)(C)C)CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 1/20 0.41
EPHX1 P07099 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.37
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
DRD2 P14416 5/20 0.36
GAA P10253 1/20 0.36
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
P2RX7 Q99572 1/20 0.34
LMNA P02545 1/20 0.34
NPFFR1 Q9GZQ6 1/20 0.34
NPFFR2 Q9Y5X5 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL6863397 0.84 HCRTR2 (0.40) HCRTR2EPHX1MEN1KMT2AALDH1A1
SCHEMBL27554172 0.82 HCRTR2 (0.41) HCRTR2EPHX1MEN1KMT2AALDH1A1
SCHEMBL28815172 0.78 HCRTR2 (0.39) HCRTR2EPHX1MEN1KMT2AALDH1A1
SCHEMBL4780567 0.78 EPHX1 (0.42) HCRTR2EPHX1MEN1KMT2AALDH1A1
SCHEMBL6803654 0.78 MEN1 (0.40) HCRTR2EPHX1MEN1KMT2AALDH1A1
SCHEMBL25785532 0.78 HCRTR2 (0.45) HCRTR2EPHX1MEN1KMT2AALDH1A1
SCHEMBL89465 0.78 EPHX1 (0.44) HCRTR2EPHX1MEN1KMT2ATDP1
SCHEMBL5962444 0.77 EPHX1 (0.41) HCRTR2EPHX1MEN1KMT2AALDH1A1
SCHEMBL29211260 0.77 TDP1 (0.45) HCRTR2EPHX1MEN1KMT2AALDH1A1
SCHEMBL24230207 0.76 EPHX1 (0.43) HCRTR2EPHX1MEN1KMT2AALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (1 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 HCRTR2 560/4885EPHX1 363/4885MEN1 2336/4885

“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.