SCHEMBL1782801

SCHEMBL1782801

CC1=C(C(=O)O)C(C)(c2ccc(Cl)c(Cl)c2)CC(C)C1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 18/20 0.62
SLC6A3 Q01959 2/20 0.40
CHRNA1 P02708 1/20 0.40
CHRNG P07510 1/20 0.40
CHRNB1 P11230 1/20 0.40
CHRNB2 P17787 1/20 0.40
SLC6A2 P23975 1/20 0.40
CHRNB4 P30926 1/20 0.40
SLC6A4 P31645 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA4 P43681 1/20 0.40
CHRND Q07001 1/20 0.40

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
SCHEMBL1780146 0.85 CCR2 (0.49) CCR2SLC6A3CHRNA1CHRNGCHRNB1
SCHEMBL1779399 0.80 CCR2 (0.55) CCR2SLC6A3CHRNA1CHRNGCHRNB1
SCHEMBL1781857 0.76 CCR2 (1.00) CCR2
SCHEMBL1827584 0.76 CCR2 (1.00) CCR2
SCHEMBL14237216 0.76 CCR2 (1.00) CCR2
SCHEMBL1826285 0.76 CCR2 (1.00) CCR2
SCHEMBL14237163 0.76 CCR2 (1.00) CCR2
SCHEMBL3223363 0.76 CCR2 (0.49) CCR2SLC6A3SLC6A2SLC6A4
Bicarbonate SCHEMBL14238261 0.74 CCR2 (0.51) CCR2SLC6A3CHRNA1CHRNGCHRNB1
SCHEMBL1778747 0.72 CCR2 (0.67) CCR2SLC6A3SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8507559-B2 Cyclohexenyl modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2013-08-13 US claimed
EP-2318352-B1 CYCLOHEXENYL COMPOUNDS AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2012-12-19 EP claimed
US-8507559-B2 Cyclohexenyl modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2013-08-13 US disclosed
EP-2318352-B1 CYCLOHEXENYL COMPOUNDS AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2012-12-19 EP disclosed
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
WO-2010009068-A2 CYCLOHEXENYL MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2010-01-21 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 (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 4370/4885CHRNA1 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.