SCHEMBL915351

SCHEMBL915351

C[C@H]1CN(Cc2ccccc2)CC[C@@H]1OC(=O)C(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.47
BCHE P06276 5/20 0.46
CHRM3 P20309 1/20 0.45
BACE1 P56817 1/20 0.44
SCN4A P35499 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
MAOB P27338 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
SCHEMBL915350 1.00 ACHE (0.47) ACHEBCHECHRM3BACE1SCN4A
SCHEMBL7225784 0.86 CYP2D6 (0.53) ACHEBCHESCN4AMAOB
SCHEMBL7225528 0.86 CYP2D6 (0.53) ACHEBCHESCN4AMAOB
SCHEMBL7225251 0.86 CYP2D6 (0.53) ACHEBCHESCN4AMAOB
SCHEMBL7225790 0.86 CYP2D6 (0.53) ACHEBCHESCN4AMAOB
SCHEMBL7225533 0.86 CYP2D6 (0.53) ACHEBCHESCN4AMAOB
SCHEMBL3227659 0.84 BCHE (0.57) BCHEMAOB
SCHEMBL10713365 0.82 BCHE (0.46) ACHEBCHESCN4AMAOB
SCHEMBL914658 0.81 BCHE (0.62) ACHEBCHECHRM3MEN1KMT2A
SCHEMBL15710626 0.79 ACHE (0.48) ACHEBCHEBACE1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8354431-B2 Aryl carboxylic acid cyclohexyl amide derivatives NOVARTIS AG (CH) 2013-01-15 US disclosed
US-8354431-B2 Aryl carboxylic acid cyclohexyl amide derivatives NOVARTIS AG (CH) 2013-01-15 US disclosed
US-8183366-B2 Chemokine receptor antagonists NOVARTIS AG (CH) 2012-05-22 US disclosed
US-20110015180-A1 Chemokine receptor antagonists NOVARTIS AG (CH) 2011-01-20 US disclosed
US-7858781-B2 Chemokine receptor antagonists NOVARTIS AG (CH) 2010-12-28 US disclosed
US-20100016361-A1 ARYL CARBOXYLIC ACID CYCLOHEXYL AMIDE DERIVATIVES NOVARTIS AG (CH) 2010-01-21 US disclosed
US-20100016361-A1 ARYL CARBOXYLIC ACID CYCLOHEXYL AMIDE DERIVATIVES NOVARTIS AG (CH) 2010-01-21 US disclosed
EP-1720859-B1 CHEMOKINE RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2009-12-23 EP disclosed
US-20070155721-A1 Chemokine receptor antagonists NOVARTIS AG (CH) 2007-07-05 US 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 (3 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-20110015180-A1 Chemokine receptor antagonists ACKR3, CXCR2, CXCR4 ACHE 4338/4885BCHE 2386/4885CHRM3 580/4885
US-20070155721-A1 Chemokine receptor antagonists ACKR3, CXCR2, CXCR4 ACHE 4358/4885BCHE 2327/4885CHRM3 554/4885
US-20100016361-A1 ARYL CARBOXYLIC ACID CYCLOHEXYL AMIDE DERIVATIVES CYP2D6, CYP2B6, CYP2C9 ACHE 3548/4885BCHE 1522/4885CHRM3 2763/4885

“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.