SCHEMBL803610

SCHEMBL803610

CNC1CCCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.67
HPGD P15428 1/20 0.57
ALDH1A1 P00352 3/20 0.51
MAPT P10636 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
NPC1 O15118 1/20 0.50
MAPK1 P28482 1/20 0.50
HTT P42858 1/20 0.50
RAB9A P51151 1/20 0.50
RECQL P46063 1/20 0.48
PTPN2 P17706 1/20 0.47
PTPN1 P18031 1/20 0.47
PTPN6 P29350 1/20 0.47
USP2 O75604 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ABL1 P00519 1/20 0.46
RIN1 Q13671 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CA1 P00915 1/20 0.46

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
SCHEMBL215297 0.94 EPHX1 (0.65) EPHX1HPGDALDH1A1MAPTL3MBTL1
SCHEMBL2026360 0.88 EPHX1 (0.55) EPHX1HPGDALDH1A1MAPTUSP2
SCHEMBL556321 0.88 EPHX1 (0.55) EPHX1HPGDALDH1A1MAPTUSP2
SCHEMBL2024838 0.88 EPHX1 (0.55) EPHX1HPGDALDH1A1MAPTUSP2
SCHEMBL31700886 0.84 EPHX1 (0.55) EPHX1HPGDALDH1A1MAPTL3MBTL1
SCHEMBL189361 0.84 EPHX1 (0.57) EPHX1HPGDALDH1A1MAPTL3MBTL1
SCHEMBL2380125 0.84 EPHX1 (0.70) EPHX1HPGDALDH1A1MAPTL3MBTL1
SCHEMBL671402 0.84 EPHX1 (0.57) EPHX1HPGDALDH1A1MAPTL3MBTL1
SCHEMBL2500606 0.84 EPHX1 (0.57) EPHX1HPGDALDH1A1MAPTL3MBTL1
SCHEMBL1001758 0.84 EPHX1 (0.75) EPHX1HPGDALDH1A1MAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
WO-2012038081-A1 SUBSTITUTED BENZAMIDE COMPOUNDS Grünenthal GmbH (DE) 2012-03-29 WO disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 US disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 US disclosed
US-20070293477-A1 Novel Compounds SMITHKLINE BEECHAM CORPORATION 2007-12-20 US disclosed
WO-2007069053-A1 BENZIMIDAZOLE ANTAGONISTS OF THE H-3 RECEPTOR PFIZER PRODUCTS INC. (US) 2007-06-21 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 (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-20070293477-A1 Novel Compounds HRH4, TRPV4, TRPC4 EPHX1 600/4885HPGD 1433/4885ALDH1A1 2048/4885
US-20120071461-A1 Substituted Benzamide Compounds BDKRB1, BDKRB2, HRH2 EPHX1 995/4885HPGD 1082/4885ALDH1A1 1267/4885

“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.