SCHEMBL1027791

SCHEMBL1027791

Oc1ccc(Cl)c(Oc2ccccc2)c1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CAMK2A Q9UQM7 3/20 0.54
LTA4H P09960 2/20 0.52
NR1H2 P55055 1/20 0.52
BAX Q07812 1/20 0.52
HSD17B10 Q99714 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
TTR P02766 2/20 0.43
DPP4 P27487 1/20 0.43
PNLIP P16233 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL10702237 0.85 LTA4H (0.52) CAMK2ALTA4HNR1H2BAXCYP1A2
SCHEMBL8568945 0.85 MEN1 (0.46) HSD17B10CYP1A2CYP2C9CYP2C19PNLIP
SCHEMBL21633625 0.82 CAMK2A (0.59) CAMK2ALTA4HNR1H2BAXHSD17B10
SCHEMBL1028660 0.81 ESR1 (0.44) CAMK2AHSD17B10
SCHEMBL18179765 0.81 HSP90AA1 (0.47) CAMK2AHSD17B10CYP3A4TTRTSHR
SCHEMBL811114 0.80 CYP1A2 (0.61) LTA4HCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL225442 0.80 CAMK2A (0.57) CAMK2ALTA4HNR1H2BAXHSD17B10
SCHEMBL3793518 0.80 LTA4H (0.50) LTA4HNR1H2BAXCYP1A2CYP3A4
SCHEMBL10937945 0.79 CYP1A2 (0.53) LTA4HCYP1A2CYP3A4CYP2C9CYP2C19
Diphenylether SCHEMBL28106818 0.78 LTA4H (0.53) CAMK2ALTA4HNR1H2BAXHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019104011-A1 CERAMIDE GALACTOSYLTRANSFERASE INHIBITORS FOR THE TREATMENT OF DISEASE BIOMARIN PHARMACEUTICAL INC. (US) 2019-05-31 WO disclosed
EP-1957493-B1 8-AZABICYCLO[3.2.1]OCTANE DERIVATIVES USEFUL AS MONOAMINE REUPTAKE INHIBITORS ORGANON NV (NL) 2011-01-19 EP disclosed
EP-1957493-B1 8-AZABICYCLO[3.2.1]OCTANE DERIVATIVES USEFUL AS MONOAMINE REUPTAKE INHIBITORS ORGANON NV (NL) 2011-01-19 EP disclosed
US-7605170-B2 8-azabicyclo[3.2.1]octane derivatives N.V. ORGANON (NL) 2009-10-20 US disclosed
US-7605170-B2 8-azabicyclo[3.2.1]octane derivatives N.V. ORGANON (NL) 2009-10-20 US disclosed
US-7605170-B2 8-azabicyclo[3.2.1]octane derivatives N.V. ORGANON (NL) 2009-10-20 US disclosed
EP-1957493-A1 8-AZABICYCLO[3.2.1]OCTANE DERIVATIVES USEFUL AS MONOAMINE REUPTAKE INHIBITORS N.V. Organon (NL) 2008-08-20 EP disclosed
US-20070185156-A1 8-Azabicyclo[3.2.1]octane derivatives N.V. ORGANON (NL) 2007-08-09 US disclosed
US-20070185156-A1 8-Azabicyclo[3.2.1]octane derivatives N.V. ORGANON (NL) 2007-08-09 US disclosed
US-20070185156-A1 8-Azabicyclo[3.2.1]octane derivatives N.V. ORGANON (NL) 2007-08-09 US disclosed
WO-2007063071-A1 8-AZABICYCLO[3.2.1]OCTANE DERIVATIVES USEFUL AS MONOAMINE REUPTAKE INHIBITORS N.V. ORGANON (NL) 2007-06-07 WO disclosed
WO-2007063071-A1 8-AZABICYCLO[3.2.1]OCTANE DERIVATIVES USEFUL AS MONOAMINE REUPTAKE INHIBITORS N.V. ORGANON (NL) 2007-06-07 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-20070185156-A1 8-Azabicyclo[3.2.1]octane derivatives SLC22A8, SLCO1B3, SLCO1B1 CAMK2A 4784/4885LTA4H 2866/4885NR1H2 1507/4885

“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.