SCHEMBL1783201

SCHEMBL1783201

CC1CC(=O)C(C)(C(=O)O)C(C)(c2cccc(-c3ccccc3)c2)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 5/20 0.50
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 2/20 0.40
BRD4 O60885 3/20 0.35
CREBBP Q92793 2/20 0.35
CHRNA1 P02708 1/20 0.34
CHRNG P07510 1/20 0.34
CHRNB1 P11230 1/20 0.34
CHRNB2 P17787 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
HSD11B1 P28845 1/20 0.34
MGLL Q99685 2/20 0.33
BACE1 P56817 1/20 0.33
FAAH O00519 1/20 0.33
RARA P10276 1/20 0.32
RARB P10826 1/20 0.32

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
SCHEMBL1780502 0.75 CCR2 (0.50) CCR2SLC6A2SLC6A4SLC6A3CHRNA1
SCHEMBL1833463 0.72 CCR2 (0.50) CCR2SLC6A2SLC6A4SLC6A3BRD4
SCHEMBL1783197 0.69 CCR2 (0.46) CCR2SLC6A2SLC6A4SLC6A3BRD4
Bicarbonate SCHEMBL14237231 0.67 CCR2 (0.58) CCR2SLC6A2SLC6A4SLC6A3CHRNA1
SCHEMBL1780947 0.67 CCR2 (1.00) CCR2
SCHEMBL3237823 0.65 CCR2 (0.50) CCR2SLC6A2SLC6A4SLC6A3RARA
SCHEMBL8106538 0.60 AKR1C1 (0.57) CCR2HSD11B1
SCHEMBL8112628 0.60 AKR1C1 (0.57) CCR2HSD11B1
SCHEMBL8110723 0.60 AKR1C1 (0.57) CCR2HSD11B1
SCHEMBL10584131 0.60 CCR2 (0.41) CCR2SLC6A2SLC6A4SLC6A3MGLL

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 1 patent. 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

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 2/4885SLC6A2 4225/4885SLC6A4 3664/4885

“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.