SCHEMBL14653271

SCHEMBL14653271

CCOC(=O)c1nc(C2CCN(C(C)=O)CC2)nc(O)c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
TSHR P16473 2/20 0.46
GAA P10253 2/20 0.46
HTT P42858 1/20 0.46
HSD17B10 Q99714 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.38
REV1 Q9UBZ9 1/20 0.36
QDPR P09417 2/20 0.36
KMT2A Q03164 2/20 0.35
BAZ2A Q9UIF9 1/20 0.35
CYP1A2 P05177 1/20 0.35
FDFT1 P37268 1/20 0.34
MAPT P10636 1/20 0.34
KDM5B Q9UGL1 1/20 0.34
KDM4E B2RXH2 2/20 0.34
CSNK1D P48730 1/20 0.34
HPGD P15428 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MEN1 O00255 1/20 0.34
GABRG2 P18507 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
SCHEMBL20976610 0.88 ALDH1A1 (0.42) ALDH1A1TSHRGAAHTTHSD17B10
SCHEMBL12179930 0.87 ALDH1A1 (0.41) ALDH1A1TSHRGAAHTTHSD17B10
SCHEMBL14653213 0.87 ALDH1A1 (0.45) ALDH1A1TSHRGAAHTTHSD17B10
SCHEMBL4774668 0.83 CSNK1D (0.42) ALDH1A1TSHRGAAHTTHSD17B10
SCHEMBL14653348 0.81 ALDH1A1 (0.37) ALDH1A1TSHRGAAHTTHSD17B10
SCHEMBL12180283 0.72 PDE10A (0.54) ALDH1A1TSHRGAAHTTHSD17B10
SCHEMBL2047911 0.72 PDE10A (0.47) ALDH1A1TSHRGAAHTTHSD17B10
SCHEMBL14653238 0.69 PDE10A (0.46) QDPR
SCHEMBL14653175 0.68 PDE10A (0.44) ALDH1A1TSHRGAAHTTHSD17B10
SCHEMBL31706293 0.68 ALDH1A1 (0.47) ALDH1A1TSHRGAAHTTHSD17B10

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-2731941-B1 NOVEL AND SELECTIVE CCR2 ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2019-05-08 EP disclosed
US-9108958-B2 Selective CCR2 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-08-18 US disclosed
US-20130172348-A1 NOVEL AND SELECTIVE CCR2 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-04 US disclosed
US-20130172348-A1 NOVEL AND SELECTIVE CCR2 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-04 US disclosed
WO-2013010839-A1 NOVEL AND SELECTIVE CCR2 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-24 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-20130172348-A1 NOVEL AND SELECTIVE CCR2 ANTAGONISTS CCR2, CXCR2, CCRL2 ALDH1A1 2518/4885TSHR 1480/4885GAA 4854/4885

“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.