SCHEMBL12066151

SCHEMBL12066151

COc1nnc(C(=O)O)c(C)c1NCc1ccc(C(C)(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
ASPH Q12797 2/20 0.44
KDM8 Q8N371 2/20 0.44
KDM4E B2RXH2 1/20 0.44
NR1H4 Q96RI1 6/20 0.43
EPHX2 P34913 5/20 0.43
RAB9A P51151 3/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
NPC1 O15118 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 1/20 0.39
LMNA P02545 3/20 0.39
COPS5 Q92905 2/20 0.38
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL12065727 0.85 EPHX2 (0.46) CA1CA2ASPHKDM8KDM4E
SCHEMBL12065712 0.81 CA1 (0.40) CA1CA2NR1H4EPHX2RAB9A
SCHEMBL12065465 0.75 NR1H4 (0.45) CA1CA2ASPHKDM8KDM4E
SCHEMBL15033784 0.74 CA1 (0.45) CA1CA2ASPHKDM8KDM4E
SCHEMBL14998844 0.73 CA1 (0.46) CA1CA2ASPHKDM8KDM4E
SCHEMBL10231976 0.71 NR1H4 (0.46) CA1CA2ASPHKDM8NR1H4
SCHEMBL10230274 0.71 NR1H4 (0.46) CA1CA2NR1H4EPHX2RAB9A
SCHEMBL15033676 0.67 ASPH (0.44) ASPHKDM8NR1H4EPHX2COPS5
SCHEMBL12065464 0.66 MEN1 (0.42) CA1CA2NR1H4EPHX2RAB9A
SCHEMBL15119866 0.66 RXRA (0.48) RAB9AL3MBTL1COPS5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9018212-B2 Pyridazine carboxamides as CCR2 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-04-28 US disclosed
US-20140323492-A1 CCR2 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-10-30 US disclosed
WO-2011147772-A1 CCR2 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-01 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-20140323492-A1 CCR2 RECEPTOR ANTAGONISTS CCR2, CCRL2, CCR1 CA1 3854/4885CA2 851/4885ASPH 4012/4885

“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.