SCHEMBL1720172

SCHEMBL1720172

CC(C)(C)OC(=O)N1CCC(N2CCC[C@@H]2CO)CC1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.49
EPHX1 P07099 1/20 0.47
RECQL P46063 1/20 0.44
NR1H2 P55055 1/20 0.43
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 1/20 0.42
USP2 O75604 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GPR119 Q8TDV5 3/20 0.41
HCAR1 Q9BXC0 1/20 0.41
TP53 P04637 1/20 0.41
HSD17B10 Q99714 1/20 0.40
KDM4E B2RXH2 1/20 0.40
THRB P10828 1/20 0.40
PTPN2 P17706 1/20 0.40
PTPN1 P18031 1/20 0.40
PTPN6 P29350 1/20 0.40

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
SCHEMBL1085044 1.00 HPGD (0.49) HPGDEPHX1RECQLNR1H2MAPT
SCHEMBL1085043 1.00 HPGD (0.49) HPGDEPHX1RECQLNR1H2MAPT
SCHEMBL20292138 0.88 HPGD (0.48) HPGDEPHX1RECQLMAPTMEN1
SCHEMBL31633875 0.84 NR1H2 (0.59) HPGDEPHX1RECQLNR1H2MAPT
SCHEMBL2475425 0.81 HPGD (0.52) HPGDEPHX1RECQLMAPTUSP2
SCHEMBL2475421 0.81 HPGD (0.52) HPGDEPHX1RECQLMAPTUSP2
SCHEMBL14088830 0.81 MEN1 (0.46) HPGDEPHX1RECQLNR1H2MAPT
SCHEMBL20291983 0.81 HPGD (0.49) HPGDEPHX1RECQLMAPTMEN1
SCHEMBL20292085 0.81 HPGD (0.49) HPGDEPHX1RECQLMAPTMEN1
SCHEMBL13207099 0.79 POLB (0.44) EPHX1

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
EP-2173735-B1 IMIDAZOLE DERIVATIVES AS CCR2 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2012-01-11 EP disclosed
US-7935707-B2 Imidazole derivatives HOFFMAN-LA ROCHE INC. (US) 2011-05-03 US disclosed
EP-2173735-A1 IMIDAZOLE DERIVATIVES AS CCR2 RECEPTOR ANTAGONISTS F. Hoffmann-Roche AG (CH) 2010-04-14 EP disclosed
US-20090012063-A1 Novel imidazole derivatives HOFFMANN-LA ROCHE, INC. 2009-01-08 US disclosed
WO-2009003861-A1 IMIDAZOLE DERIVATIVES AS CCR2 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-01-08 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-20090012063-A1 Novel imidazole derivatives CCR2, CCR1, CCR3 HPGD 2169/4885EPHX1 1539/4885RECQL 1727/4885

“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.