SCHEMBL1029424

SCHEMBL1029424

Oc1cccc(-c2ccc(OC(F)(F)F)cc2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B1 P14061 11/20 0.61
▸ HSD17B2 P37059 11/20 0.61
▸ CYP3A4 P08684 2/20 0.61
▸ CYP2C9 P11712 2/20 0.61
▸ AURKA O14965 1/20 0.56
▸ TPX2 Q9ULW0 1/20 0.56
▸ ESR1 P03372 3/20 0.52
▸ ESR2 Q92731 2/20 0.52
▸ CYP1A2 P05177 1/20 0.52
▸ CYP2D6 P10635 1/20 0.52
▸ CYP2B6 P20813 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ NLRP3 Q96P20 1/20 0.49
▸ SCN5A Q14524 1/20 0.48
▸ AR P10275 1/20 0.46
▸ AKR1C2 P52895 1/20 0.46
▸ AKR1C1 Q04828 1/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ ABL1 P00519 1/20 0.44

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
SCHEMBL2089768 0.95 HSD17B1 (0.55) HSD17B1HSD17B2CYP3A4CYP2C9AURKA
SCHEMBL1031161 0.87 HSD17B1 (0.52) HSD17B1HSD17B2CYP3A4CYP2C9ESR1
SCHEMBL29628993 0.87 SCN5A (0.54) AURKATPX2ESR1SCN5AAKR1C2
SCHEMBL1690017 0.83 AURKA (0.71) AURKATPX2ESR1SCN5AAKR1C2
SCHEMBL12952736 0.83 AURKA (0.71) AURKATPX2SCN5AAKR1C2AKR1C1
SCHEMBL5379608 0.82 ESR1 (0.55) HSD17B1HSD17B2CYP3A4CYP2C9AURKA
SCHEMBL508237 0.81 AURKA (0.57) AURKATPX2ESR1ESR2SCN5A
SCHEMBL21944789 0.80 AURKA (0.67) AURKATPX2SCN5AAKR1C2AKR1C1
SCHEMBL29461792 0.79 CYP11B1 (0.45) HSD17B1HSD17B2CYP3A4CYP2C9ESR1
SCHEMBL224912 0.79 NLRP3 (0.48) CYP3A4ESR1ESR2NLRP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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 HSD17B1 1363/4885HSD17B2 1275/4885CYP3A4 433/4885

“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.

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