SCHEMBL914658

SCHEMBL914658

CC(C)(C)C(=O)OC1CCN(Cc2ccccc2)CC1

nearest known ligand 0.72

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BCHE P06276 3/20 0.62
ACHE P22303 3/20 0.53
CHRM3 P20309 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51

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
SCHEMBL3227659 0.92 BCHE (0.57) BCHE
SCHEMBL14648566 0.89 BCHE (0.60) BCHECHRM3
SCHEMBL4135213 0.84 BCHE (0.67) BCHEACHESMN1; SMN2MEN1KMT2A
SCHEMBL8313882 0.84 BCHE (0.70) BCHEACHEMEN1KMT2A
SCHEMBL17294711 0.84 CHRM3 (0.70) CHRM3
SCHEMBL12058614 0.84 BCHE (0.60) BCHECHRM3
Hydrochloric Acid SCHEMBL9380707 0.83 BCHE (0.65) BCHEACHESMN1; SMN2MEN1KMT2A
SCHEMBL27756963 0.83 BCHE (0.69) BCHEACHEMEN1KMT2A
SCHEMBL11473244 0.83 BCHE (0.56) BCHE
SCHEMBL1034422 0.82 BCHE (0.68) BCHEACHEMEN1KMT2A

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-8183366-B2 Chemokine receptor antagonists NOVARTIS AG (CH) 2012-05-22 US disclosed
CN-102391251-A Chemokine receptor antagonists NOVARTIS AG 2012-03-28 CN 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
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
CN-1946713-A Chemokine receptor antagonists NOVARTIS AG (CH) 2007-04-11 CN disclosed
EP-1720859-A2 CHEMOKINE RECEPTOR ANTAGONISTS Novartis AG (CH) 2006-11-15 EP disclosed
WO-2005077932-A2 CHEMOKINE RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2005-08-25 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 (2 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 BCHE 2386/4885ACHE 4338/4885CHRM3 580/4885
US-20070155721-A1 Chemokine receptor antagonists ACKR3, CXCR2, CXCR4 BCHE 2327/4885ACHE 4358/4885CHRM3 554/4885

“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.