SCHEMBL186359

SCHEMBL186359

CCNc1ncc(C(=O)O)cn1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 10/20 0.61
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
ALOX15 P16050 1/20 0.47
HSD17B10 Q99714 1/20 0.47
VNN1 O95497 2/20 0.45
MAPT P10636 2/20 0.44
HDAC3 O15379 3/20 0.44
HCAR2 Q8TDS4 2/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
CSNK2A2 P19784 1/20 0.43
CSNK2B P67870 1/20 0.43
GAA P10253 1/20 0.42
THRB P10828 1/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL186222 0.85 HCAR3 (0.63) HCAR3KDM4EALDH1A1ALOX15HSD17B10
SCHEMBL13160092 0.82 VNN1 (0.48) HCAR3VNN1HDAC3HDAC1HDAC2
SCHEMBL19609085 0.81 MAPK1 (0.49) HCAR3KDM4EALDH1A1VNN1MAPT
SCHEMBL18173893 0.79 HCAR3 (0.64) HCAR3KDM4EALDH1A1ALOX15HSD17B10
SCHEMBL17610148 0.78 HCAR3 (0.42) HCAR3KDM4EALDH1A1ALOX15HSD17B10
Hydrochloric Acid SCHEMBL11192150 0.78 HCAR3 (0.62) HCAR3HDAC3HDAC1HDAC2HDAC11
SCHEMBL17075527 0.78 HCAR3 (0.48) HCAR3KDM4EALDH1A1ALOX15HSD17B10
SCHEMBL186007 0.77 HCAR3 (0.57) HCAR3KDM4EALDH1A1ALOX15HSD17B10
SCHEMBL16824292 0.77 HCAR3 (0.66) HCAR3KDM4EALDH1A1ALOX15HSD17B10
SCHEMBL186420 0.76 HCAR3 (1.00) HCAR3MAPTHCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102414177-B Compounds as bradykinin B1 antagonists BOEHRINGER INGELHEIM INT 2014-07-02 CN disclosed
US-20130131075-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-23 US disclosed
EP-2401256-B1 Compounds as bradykinin B1 antagonists BOEHRINGER INGELHEIM INT (DE) 2013-04-17 EP disclosed
CN-102414177-A Compounds as bradykinin b1 antagonists BOEHRINGER INGELHEIM INT 2012-04-11 CN disclosed
EP-2401256-A1 COMPOUNDS AS BRADYKININ B1 ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2012-01-04 EP disclosed
US-20100240669-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-23 US disclosed
WO-2010097372-A1 COMPOUNDS AS BRADYKININ B1 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 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 (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-20130131075-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 HCAR3 302/4885KDM4E 4133/4885ALDH1A1 1000/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 HCAR3 302/4885KDM4E 4133/4885ALDH1A1 1000/4885

“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.