SCHEMBL5729124

SCHEMBL5729124

C=C1CCC(CC2CCC2)(C(=O)OC)C1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.37
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
HSP90AA1 P07900 1/20 0.31
OPRM1 P35372 1/20 0.31
MEN1 O00255 1/20 0.30
USP2 O75604 1/20 0.30
TP53 P04637 1/20 0.30
CYP3A4 P08684 1/20 0.30
MAPT P10636 1/20 0.30
MAPK1 P28482 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
SOD1 P00441 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
SCHEMBL5731171 0.94 ATM (0.36) ATMCYP4F2CYP4A11HSP90AA1MEN1
SCHEMBL5728819 0.79 CYP4F2 (0.36) ATMCYP4F2CYP4A11MAPT
SCHEMBL5730368 0.77 CYP4F2 (0.35) ATMCYP4F2CYP4A11
SCHEMBL5729716 0.76 CYP4F2 (0.37) ATMCYP4F2CYP4A11MEN1CYP3A4
SCHEMBL11292307 0.75 CYP4F2 (0.45) CYP4F2CYP4A11MAPTKMT2A
SCHEMBL4987218 0.75 CYP4F2 (0.33) CYP4F2CYP4A11MEN1CYP3A4KMT2A
SCHEMBL10086984 0.73 CYP4F2 (0.50) CYP4F2CYP4A11MEN1MAPTMAPK1
SCHEMBL6623827 0.73 CYP4F2 (0.44) ATMCYP4F2CYP4A11CYP3A4MAPT
SCHEMBL5728842 0.72 CYP4F2 (0.41) CYP4F2CYP4A11
SCHEMBL5730182 0.71 CYP4F2 (0.47) CYP4F2CYP4A11

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 ATM 4646/4885CYP4F2 1087/4885CYP4A11 670/4885

“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.