SCHEMBL1028660

SCHEMBL1028660

Oc1ccc(Cl)c(Oc2ccc(F)cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.44
HSD17B10 Q99714 1/20 0.42
NPBWR1 P48145 1/20 0.42
MCHR1 Q99705 1/20 0.42
HSP90AA1 P07900 1/20 0.41
S1PR2 O95136 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CAMK2A Q9UQM7 1/20 0.40
F2 P00734 1/20 0.40
F10 P00742 1/20 0.40
ESR2 Q92731 1/20 0.40
HTR2A P28223 1/20 0.39
SLC6A4 P31645 1/20 0.39
KCNH2 Q12809 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
SCHEMBL29084741 0.86 PNLIP (0.47) ESR1HSD17B10NPBWR1MCHR1HSP90AA1
SCHEMBL8568945 0.85 MEN1 (0.46) ESR1HSD17B10HSP90AA1MEN1KMT2A
SCHEMBL1027791 0.81 CAMK2A (0.54) HSD17B10CAMK2A
SCHEMBL9338779 0.79 HTR2A (0.39) F2F10HTR2ASLC6A4KCNH2
SCHEMBL1028659 0.79 HTR2A (0.47) NPBWR1HTR2ASLC6A4KCNH2
SCHEMBL16695420 0.79 SLC6A4 (0.46) F2F10HTR2ASLC6A4KCNH2
SCHEMBL18179765 0.78 HSP90AA1 (0.47) HSD17B10HSP90AA1CAMK2AF2F10
SCHEMBL10537650 0.78 MAPK1 (0.49) ESR1HSD17B10HSP90AA1MEN1KMT2A
SCHEMBL23484500 0.76 HDAC8 (0.47) MEN1KMT2ASLC6A4
SCHEMBL2810063 0.75 SLC6A4 (0.46) F2F10HTR2ASLC6A4KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101360745-B 8-azabicyclo[3.2.1]octane derivatives useful as monoamine reuptake inhibitors N.V. ORGANON (NL) 2011-12-14 CN 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
CN-101360745-A 8-azabicyclo[3.2.1]octane derivatives useful as monoamine reuptake inhibitors ORGANON NV (NL) 2009-02-04 CN 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 ESR1 4287/4885HSD17B10 1719/4885NPBWR1 1773/4885

“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.