SCHEMBL4980574

SCHEMBL4980574

FC(F)(F)c1cnc2c(c1)CCCN2

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NNMT P40261 2/20 0.51
GRM5 P41594 1/20 0.38
ASIC3 Q9UHC3 1/20 0.36
CXCR4 P61073 2/20 0.36
ALDH1A1 P00352 2/20 0.35
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
AR P10275 2/20 0.34
GAA P10253 2/20 0.34
ITGAV P06756 4/20 0.34
ITGB6 P18564 4/20 0.34
ITGB8 P26012 3/20 0.34
PARP1 P09874 1/20 0.33
PARP10 Q53GL7 1/20 0.33
UHRF1 Q96T88 1/20 0.33
ITGA5 P08648 1/20 0.33

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
SCHEMBL11990238 0.90 NNMT (0.49) NNMTGRM5ASIC3ALDH1A1ALOX5AP
SCHEMBL16196626 0.84 CYP11B2 (0.50) NNMTASIC3ALOX5APFEN1PARP10
SCHEMBL25950314 0.83 NNMT (0.51) NNMTGRM5ASIC3ALOX5APFEN1
SCHEMBL29809722 0.74 NNMT (0.59) NNMTGRM5ASIC3ALOX5APFEN1
SCHEMBL20731178 0.74 NNMT (0.59) NNMTGRM5ASIC3ALOX5APFEN1
SCHEMBL30507029 0.74 NNMT (0.55) NNMTGRM5ASIC3ALOX5APFEN1
SCHEMBL15951410 0.74 NNMT (0.59) NNMTGRM5ASIC3ALDH1A1ALOX5AP
SCHEMBL1258438 0.74 NNMT (0.55) NNMTGRM5ASIC3ALOX5APFEN1
SCHEMBL31000386 0.74 NNMT (0.55) NNMTGRM5ASIC3ALDH1A1ALOX5AP
SCHEMBL1258214 0.74 NNMT (0.55) NNMTGRM5ASIC3ALOX5APFEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7361765-B2 Process for the preparation of CCR-2 antagonists MERCK & CO., INC. (US) 2008-04-22 US claimed
US-20070135475-A1 Process for the preparation of ccr-2 antagonists MERCK SHARP & DOHME CORP. 2007-06-14 US claimed
JP-2007509944-A 2007-04-19 JP claimed
EP-1682500-A1 PROCESS FOR THE PREPARATION OF CCR-2 ANTAGONIST Merck & Co., Inc. (US) 2006-07-26 EP claimed
WO-2005044795-A1 PROCESS FOR THE PREPARATION OF CCR-2 ANTAGONIST MERCK & CO., INC. (US) 2005-05-19 WO claimed

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-20070135475-A1 Process for the preparation of ccr-2 antagonists CCR1, CCR2, CCR4 NNMT 1937/4885GRM5 357/4885ASIC3 93/4885

“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.