SCHEMBL3938646

SCHEMBL3938646

COCC/C=C/c1cc(C)cc(Br)c1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 3/20 0.36
▸ AKR1C3 P42330 3/20 0.34
▸ MEN1 O00255 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ AKR1C4 P17516 1/20 0.31
▸ TACR1 P25103 1/20 0.30

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
SCHEMBL3938650 1.00 APP (0.36) APPAKR1C3MEN1KMT2AAKR1C4
SCHEMBL2807250 0.77 HSD17B3 (0.45) MEN1KMT2A
SCHEMBL2807247 0.77 HSD17B3 (0.45) MEN1KMT2A
SCHEMBL16685855 0.75 TUBB4A (0.43) MEN1KMT2A
SCHEMBL16685853 0.75 TUBB4A (0.43) MEN1KMT2A
SCHEMBL7989611 0.75 RELA (0.51) MEN1KMT2A
SCHEMBL31051696 0.74 PPARG (0.39) AKR1C3KMT2AAKR1C4
SCHEMBL16951189 0.72 APP (0.33) APPMEN1KMT2A
SCHEMBL16956200 0.70 APP (0.36) APPAKR1C3AKR1C4
SCHEMBL16348861 0.69 APP (0.47) APPAKR1C3AKR1C4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090306062-A1 2,5-Disubstituted Piperidines NOVARTIS AG (CH) 2009-12-10 — — US disclosed
WO-2009106599-A2 SUBSTITUTED PIPERIDINES AS THERAPEUTIC COMPOUNDS NOVARTIS AG (CH) 2009-09-03 — — WO disclosed
EP-2044059-A1 2,5-DISUBSTITUTED PIPERIDINES Speedel Experimenta AG (CH) 2009-04-08 — — EP disclosed
WO-2007141318-A1 2,5-DISUBSTITUTED PIPERIDINES SPEEDEL EXPERIMENTA AG (CH) 2007-12-13 — — 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-20090306062-A1 2,5-Disubstituted Piperidines REN, AGTR1, AGTR2 APP 3395/4885AKR1C3 658/4885MEN1 2259/4885

“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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