SCHEMBL3465332

SCHEMBL3465332

CC(=O)N1CCC([CH]CC(N)=O)CC1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 6/20 0.38
EPHX1 P07099 3/20 0.38
CYP1A2 P05177 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KDM4E B2RXH2 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PIK3CD O00329 1/20 0.34
GAA P10253 1/20 0.34
QDPR P09417 1/20 0.34

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
SCHEMBL3464891 0.85 GAA (0.33) GAA
SCHEMBL3466357 0.81 NCF1 (0.38) CYP1A2TDP1SMN1; SMN2
SCHEMBL3466906 0.80 ALDH1A1 (0.35) EPHX2EPHX1KDM4E
SCHEMBL27827223 0.79 EPHX2 (0.41) EPHX2EPHX1CYP1A2TDP1KDM4E
SCHEMBL11058892 0.79 EPHX2 (0.39) EPHX2EPHX1CYP1A2TDP1QDPR
SCHEMBL3457860 0.78 EPHX2 (0.40) EPHX2EPHX1CYP1A2TDP1KDM4E
SCHEMBL27763152 0.78 EPHX2 (0.40) EPHX2EPHX1CYP1A2TDP1KDM4E
SCHEMBL3130052 0.76 TP53 (0.44) KDM4ESMN1; SMN2GAA
SCHEMBL2998445 0.72 CYP1A2 (0.44) EPHX2EPHX1CYP1A2TDP1KDM4E
SCHEMBL5908925 0.72 GRIK1 (0.37) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2346868-B1 AZAINDAZOLE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2016-01-27 EP disclosed
US-8338610-B2 Pyridinyl compounds useful as intermediates BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-25 US disclosed
US-20120136158-A1 Pyridinyl Compounds Useful As Intermediates BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-31 US disclosed
US-20100093724-A1 Azaindazole Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-15 US 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 (2 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-20100093724-A1 Azaindazole Compounds As CCR1 Receptor Antagonists CCR1, CCR3, CCR4 EPHX2 2057/4885EPHX1 1689/4885CYP1A2 1093/4885
US-20120136158-A1 Pyridinyl Compounds Useful As Intermediates CCR1, CCRL2, CCR4 EPHX2 808/4885EPHX1 299/4885CYP1A2 811/4885

“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.