SCHEMBL1779233

SCHEMBL1779233

CCOC(=O)C1C(=O)CC(C)CC1(C)c1ccc(F)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 1/20 0.41
ALDH1A1 P00352 7/20 0.39
CHRNA1 P02708 1/20 0.36
CHRNG P07510 1/20 0.36
CHRNB1 P11230 1/20 0.36
CHRNB2 P17787 1/20 0.36
SLC6A2 P23975 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
SLC6A3 Q01959 1/20 0.36
CHRND Q07001 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
HTT P42858 2/20 0.34
KDM4E B2RXH2 3/20 0.34
MAPT P10636 2/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL3228713 0.83 CCR2 (0.49) CCR2CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL1781978 0.79 CCR2 (0.42) CCR2ALDH1A1CHRNA1CHRNGCHRNB1
SCHEMBL1779888 0.74 MEN1 (0.37) CCR2ALDH1A1L3MBTL1RAB9AMAPT
SCHEMBL1778995 0.71 CCR2 (0.44) CCR2CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL3235269 0.70 CCR2 (0.40) CCR2ALDH1A1L3MBTL1RAB9AMAPT
SCHEMBL3220089 0.67 CCR2 (0.49) CCR2CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL1474226 0.67 EPHX2 (0.42) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL1779234 0.66 CCR2 (0.46) CCR2CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL17525667 0.66 CCR2 (0.48) CCR2CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL28202864 0.65 OPRM1 (0.56)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110118354-A1 CYCLOHEXENYL MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2011-05-19 US disclosed
EP-2318352-A2 CYCLOHEXENYL MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Bristol-Myers Squibb Company (US) 2011-05-11 EP 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-20110118354-A1 CYCLOHEXENYL MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCR1, CCR2, CCR3 CCR2 2/4885ALDH1A1 917/4885CHRNA1 263/4885

“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.