SCHEMBL17533967

SCHEMBL17533967

CCN(C(=O)O)C(c1ccc(C#N)cc1)N(CC)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
F2R P25116 1/20 0.43
CYP2A6 P11509 1/20 0.39
HTT P42858 2/20 0.39
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
KMT2A Q03164 1/20 0.38
EPHX2 P34913 1/20 0.38
GSK3B P49841 2/20 0.38
SNCA P37840 1/20 0.38
NSD2 O96028 1/20 0.38
PKM P14618 1/20 0.37
RORC P51449 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
SLC6A3 Q01959 1/20 0.37
TMEM97 Q5BJF2 1/20 0.36

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
SCHEMBL17533969 0.77 FFAR1 (0.38) GAANSD2
SCHEMBL6787548 0.72 GRIA1 (0.51) MAPTKDM4EGAAL3MBTL1F2R
SCHEMBL2474521 0.71 GAA (0.48) MAPTKDM4EGAAL3MBTL1F2R
SCHEMBL14762666 0.71 MAPT (0.44) MAPTKDM4EGAAL3MBTL1F2R
SCHEMBL6783646 0.71 GRIA2 (0.50) MAPTKDM4EGAAL3MBTL1F2R
SCHEMBL24450571 0.69 MAPT (0.45) MAPTKDM4EGAAL3MBTL1CYP2A6
SCHEMBL28613441 0.69 CYP2A6 (0.52) MAPTKDM4EGAAL3MBTL1CYP2A6
SCHEMBL7387904 0.69 SLC6A3 (0.47) MAPTKDM4EGAAL3MBTL1F2R
SCHEMBL8578237 0.69 EPHX2 (0.48) MAPTKDM4EGAAL3MBTL1MEN1
SCHEMBL17533962 0.69 CYP26A1 (0.32)

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-9670166-B2 Substituted bicyclic dihydropyrimidinones and their use as inhibitors of neutrophil elastase activity BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-06-06 US disclosed
US-20160340319-A1 SUBSTITUTED BICYCLIC DIHYDROPYRIMIDINONES AND THEIR USE AS INHIBITORS OF NEUTROPHIL ELASTASE ACTIVITY BOEHRINGER INGELHEIM INT (DE) 2016-11-24 US disclosed
US-20160060230-A1 SUBSTITUTED BICYCLIC DIHYDROPYRIMIDINONES AND THEIR USE AS INHIBITORS OF NEUTROPHIL ELASTASE ACTIVITY BOEHRINGER INGELHEIM INT (DE) 2016-03-03 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-20160060230-A1 SUBSTITUTED BICYCLIC DIHYDROPYRIMIDINONES AND THEIR USE AS INHIBITORS OF NEUTROPHIL ELASTASE ACTIVITY SERPINB1, ELANE, MPO MAPT 4434/4885KDM4E 4052/4885GAA 414/4885
US-20160340319-A1 SUBSTITUTED BICYCLIC DIHYDROPYRIMIDINONES AND THEIR USE AS INHIBITORS OF NEUTROPHIL ELASTASE ACTIVITY SERPINB1, ELANE, MPO MAPT 4434/4885KDM4E 4052/4885GAA 414/4885

“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.