SCHEMBL6106540

SCHEMBL6106540

COC(=O)C(C)C(=O)C1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.54
RECQL P46063 1/20 0.51
PTPN2 P17706 1/20 0.50
PTPN1 P18031 1/20 0.50
PTPN6 P29350 1/20 0.50
EPHX1 P07099 1/20 0.48
ALDH1A1 P00352 2/20 0.47
NPC1 O15118 1/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
STS P08842 6/20 0.46
KMT2A Q03164 1/20 0.46
GPR119 Q8TDV5 3/20 0.45

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
SCHEMBL4792282 0.85 HPGD (0.56) HPGDRECQLPTPN2PTPN1PTPN6
SCHEMBL888755 0.83 HPGD (0.60) HPGDRECQLPTPN2PTPN1PTPN6
SCHEMBL14168685 0.82 HPGD (0.56) HPGDRECQLPTPN2PTPN1PTPN6
SCHEMBL6104200 0.82 HPGD (0.52) HPGDRECQLPTPN2PTPN1PTPN6
SCHEMBL6505073 0.82 HPGD (0.52) HPGDRECQLPTPN2PTPN1PTPN6
SCHEMBL5763963 0.82 HPGD (0.52) HPGDRECQLPTPN2PTPN1PTPN6
SCHEMBL5763960 0.82 HPGD (0.52) HPGDRECQLPTPN2PTPN1PTPN6
SCHEMBL3821259 0.79 EPHX1 (0.54) HPGDRECQLPTPN2PTPN1PTPN6
SCHEMBL57231 0.79 HPGD (0.62) HPGDRECQLPTPN2PTPN1PTPN6
SCHEMBL3640119 0.78 DPP4 (0.53) HPGDRECQLPTPN2PTPN1PTPN6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7125887-B2 Pyrrolidine modulators of CCR5 chemokine receptor activity MERCK & CO., INC. (US) 2006-10-24 US disclosed
US-20040087552-A1 Pyrrolidine modulators of ccr5 chemokine receptor activity MERCK SHARP & DOHME CORP. 2004-05-06 US disclosed
EP-1326619-A2 PYRROLIDINE MODULATORS OF CCR5 CHEMOKINE RECEPTOR ACTIVITY Merck & Co., Inc. (US) 2003-07-16 EP disclosed
WO-2002034716-A2 PYRROLIDINE MODULATORS OF CCR5 CHEMOKINE RECEPTOR ACTIVITY MERCK & CO., INC. (US) 2002-05-02 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-20040087552-A1 Pyrrolidine modulators of ccr5 chemokine receptor activity CCR5, CCR1, CXCR1 HPGD 928/4885RECQL 1485/4885PTPN2 1989/4885

“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.