SCHEMBL4989618

SCHEMBL4989618

C=C1CCC(C)(C(=O)O)C1

nearest known ligand 0.48

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.48

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
SCHEMBL9043462 0.86 FFAR3 (0.59) FFAR3
SCHEMBL1744112 0.81
SCHEMBL4486583 0.78 NPSR1 (0.33)
SCHEMBL3519272 0.76 FFAR3 (0.50) FFAR3
SCHEMBL24180314 0.74 FFAR3 (0.48) FFAR3
SCHEMBL17131051 0.74 FFAR3 (0.48) FFAR3
SCHEMBL15981231 0.73 FFAR3 (0.35) FFAR3
SCHEMBL2311457 0.70 FFAR3 (0.62) FFAR3
SCHEMBL4470839 0.69
SCHEMBL5729131 0.68

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7390803-B2 Tetrahydropyranyl cyclopentyl benzylamide modulators of chemokine receptor activity MERCK & CO., INC. (US) 2008-06-24 US disclosed
EP-1558243-A4 TETRAHYDROPYRANYL CYCLOPENTYL BENZYLAMIDE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO INC (US) 2006-11-02 EP disclosed
EP-1318811-B1 CYCLOPENTYL MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO INC (US) 2006-08-30 EP disclosed
US-20060116421-A1 Tetrahydropyranyl cyclopentyl benzylamide modulators of chemokine receptor activity MERCK SHARP & DOHME CORP. 2006-06-01 US disclosed
EP-1558243-A2 TETRAHYDROPYRANYL CYCLOPENTYL BENZYLAMIDE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Merck & Co., Inc. (US) 2005-08-03 EP disclosed
EP-1318811-A4 CYCLOPENTYL MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO INC (US) 2004-07-14 EP disclosed
WO-2004041161-A2 TETRAHYDROPYRANYL CYCLOPENTYL BENZYLAMIDE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO., INC. (US) 2004-05-21 WO disclosed
EP-1318811-A1 CYCLOPENTYL MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Merck & Co., Inc. (US) 2003-06-18 EP disclosed
US-6545023-B2 For treating rheumatoid arthritis; for examle, 1-(4-(4-fluorophenyl)piperidin-1-yl),3-(2-methoxy-4 -chlorobenzylaminocarbonyl),3-isopropyl-cyclopentane MERCK & CO., INC. 2003-04-08 US disclosed
US-20020049222-A1 Cyclopentyl modulators of chemokine receptor activity MERCK SHARP & DOHME CORP. 2002-04-25 US disclosed
WO-2002013824-A1 CYCLOPENTYL MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO., INC. (US) 2002-02-21 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 (2 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-20020049222-A1 Cyclopentyl modulators of chemokine receptor activity CCR1, CCRL2, CCR5 FFAR3 162/4885
US-20060116421-A1 Tetrahydropyranyl cyclopentyl benzylamide modulators of chemokine receptor activity CCR2, CCR1, CCR9 FFAR3 113/4885

“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.