SCHEMBL5870689

SCHEMBL5870689

CC(C)(C)OC(=O)N1C2CCC1CC(=Cc1ccc(Cl)cc1)C2

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.47
CHRM1 P11229 1/20 0.47
CHRM3 P20309 1/20 0.47
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
HSD11B1 P28845 1/20 0.43
KCNK3 O14649 3/20 0.42
KCNK9 Q9NPC2 3/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
STS P08842 2/20 0.41
PREP P48147 2/20 0.39
USP2 O75604 1/20 0.38
HPGD P15428 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GPR119 Q8TDV5 1/20 0.37
NR3C1 P04150 1/20 0.36

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
SCHEMBL3888021 0.87 CHRM2 (0.47) CHRM2CHRM1CHRM3HSD11B1MEN1
SCHEMBL5870650 0.86 CHRM2 (0.44) CHRM2CHRM1CHRM3HSD11B1PREP
SCHEMBL6943848 0.85 PPARG (0.43) CHRM1KCNK3KCNK9MEN1KMT2A
SCHEMBL5497099 0.76 MEN1 (0.55) NFKB1NFKB2RELAMEN1KMT2A
SCHEMBL20989291 0.74 CHRM2 (0.54) CHRM2CHRM1CHRM3HSD11B1KCNK3
SCHEMBL12094583 0.74 GPR119 (0.46) CHRM2CHRM1CHRM3HSD11B1KCNK3
SCHEMBL23658378 0.74 CHRM2 (0.55) CHRM2CHRM1CHRM3HSD11B1KCNK3
SCHEMBL14098539 0.74 CHRM2 (0.55) CHRM2CHRM1CHRM3HSD11B1KCNK3
SCHEMBL5093549 0.74 CHRM2 (0.55) CHRM2CHRM1CHRM3HSD11B1KCNK3
SCHEMBL5870742 0.73 CHRM2 (0.52) CHRM2CHRM1CHRM3HSD11B1KCNK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060194790-A1 Bridged bicyclic amine derivatives useful as CCR-3 receptor antagonists GONG LEYI 2006-08-31 US disclosed
US-20060189596-A1 Bridged bicyclic amine derivatives useful as CCR-3 receptor antagonists GONG LEYI 2006-08-24 US disclosed
US-7081531-B2 Bridged bicyclic amine derivatives useful as CCR-3 receptor antagonists ROCHE PALO ALTO LLC (US) 2006-07-25 US disclosed
EP-1599472-A1 CCR-3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-11-30 EP disclosed
WO-2004076448-A1 CCR-3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-09-10 WO disclosed
US-20040176416-A1 Bridged bicyclic amine derivatives useful as CCR-3 receptor antagonists ROCHE PALO ALTO LLC 2004-09-09 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-20060189596-A1 Bridged bicyclic amine derivatives useful as CCR-3 receptor antagonists CCR3, CCR10, CCR1 CHRM2 207/4885CHRM1 177/4885CHRM3 40/4885
US-20040176416-A1 Bridged bicyclic amine derivatives useful as CCR-3 receptor antagonists CCR3, CCR1, CCR10 CHRM2 155/4885CHRM1 134/4885CHRM3 18/4885
US-20060194790-A1 Bridged bicyclic amine derivatives useful as CCR-3 receptor antagonists CCR3, CCR10, CCR1 CHRM2 83/4885CHRM1 61/4885CHRM3 13/4885

“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.