SCHEMBL5729653

SCHEMBL5729653

COC(=O)C1(C(C)C)CCC(N2CCC(c3ccccc3)CC2)C1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 10/20 0.52
KCNH2 Q12809 8/20 0.52
SLC18A3 Q16572 5/20 0.46
GRIN2B Q13224 2/20 0.44
HRH3 Q9Y5N1 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TACR1 P25103 1/20 0.42

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
SCHEMBL13645891 0.88 CCR2 (0.61) CCR2KCNH2TACR1
SCHEMBL3616957 0.79 CCR2 (0.56) CCR2KCNH2SLC18A3KDM4EALDH1A1
SCHEMBL13439549 0.79 CCR2 (0.49) CCR2KCNH2TACR1
SCHEMBL3620224 0.79 CCR2 (0.54) CCR2KCNH2TACR1
SCHEMBL13645885 0.79 KCNH2 (0.63) CCR2KCNH2TACR1
SCHEMBL3863239 0.79 KCNH2 (0.63) CCR2KCNH2TACR1
SCHEMBL13645882 0.79 KCNH2 (0.63) CCR2KCNH2TACR1
SCHEMBL13439548 0.76 CCR2 (0.53) CCR2KCNH2
SCHEMBL5729519 0.74 CCR2 (0.51) CCR2KCNH2SLC18A3GRIN2BKDM4E
SCHEMBL5735401 0.73 KCNH2 (0.55) CCR2KCNH2SLC18A3GRIN2BKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1318811-B1 CYCLOPENTYL MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO INC (US) 2006-08-30 EP disclosed
EP-1318811-A4 CYCLOPENTYL MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO INC (US) 2004-07-14 EP 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 (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-20020049222-A1 Cyclopentyl modulators of chemokine receptor activity CCR1, CCRL2, CCR5 CCR2 6/4885KCNH2 3123/4885SLC18A3 1797/4885

“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.