SCHEMBL1781979

SCHEMBL1781979

CCC1(C(=O)O)C(O)CC(C)CC1(C)c1ccc(F)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 4/20 0.46
SLC6A3 Q01959 2/20 0.34
HCAR3 P49019 1/20 0.34
HCAR2 Q8TDS4 1/20 0.34
CHRNA1 P02708 1/20 0.34
CHRNG P07510 1/20 0.34
CHRNB1 P11230 1/20 0.34
CHRNB2 P17787 1/20 0.34
SLC6A2 P23975 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA4 P43681 1/20 0.34
CHRND Q07001 1/20 0.34
MC4R P32245 5/20 0.34
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SLC6A4 P31645 1/20 0.32
HSD11B1 P28845 4/20 0.31
MAPK1 P28482 1/20 0.31
APP P05067 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
SCHEMBL1779234 0.74 CCR2 (0.46) CCR2SLC6A3HCAR3HCAR2CHRNA1
SCHEMBL3233210 0.68 CCR2 (0.49) CCR2SLC6A3HCAR3HCAR2CHRNA1
SCHEMBL1779902 0.67 CCR2 (0.40) CCR2MEN1KMT2A
SCHEMBL1781978 0.67 CCR2 (0.42) CCR2SLC6A3CHRNA1CHRNGCHRNB1
SCHEMBL31381601 0.63 CCR2 (0.51) CCR2SLC6A3HCAR3HCAR2CHRNA1
SCHEMBL1780502 0.63 CCR2 (0.50) CCR2SLC6A3CHRNA1CHRNGCHRNB1
SCHEMBL1780101 0.63 CCR2 (1.00) CCR2
SCHEMBL6023197 0.61 CCR2 (0.43) CCR2SLC6A3HCAR3HCAR2SLC6A2
SCHEMBL3743997 0.61 CCR2 (0.43) CCR2SLC6A3HCAR3HCAR2SLC6A2
SCHEMBL3228713 0.61 CCR2 (0.49) CCR2SLC6A3HCAR3HCAR2CHRNA1

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 2/4885SLC6A3 4370/4885HCAR3 48/4885

“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.