SCHEMBL186222

SCHEMBL186222

CCCNc1ncc(C(=O)O)cn1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 6/20 0.63
HDAC3 O15379 8/20 0.51
HDAC1 Q13547 5/20 0.51
HDAC2 Q92769 5/20 0.51
HDAC8 Q9BY41 3/20 0.51
HDAC11 Q96DB2 1/20 0.51
HDAC6 Q9UBN7 1/20 0.45
KDM6B O15054 1/20 0.45
KDM4C Q9H3R0 1/20 0.45
CSNK2A1 P68400 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
FYN P06241 1/20 0.44
VNN1 O95497 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
Hydrochloric Acid SCHEMBL11192150 0.85 HCAR3 (0.62) HCAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL186359 0.85 HCAR3 (0.61) HCAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL17676668 0.82 HCAR3 (0.47) HCAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL17075527 0.82 HCAR3 (0.48) HCAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL16824292 0.81 HCAR3 (0.66) HCAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL34473008 0.80 HCAR3 (0.42) HCAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL17075508 0.78 HCAR3 (0.48) HCAR3HDAC3HDAC1HDAC2HDAC6
SCHEMBL17075530 0.78 HCAR3 (0.55) HCAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL186223 0.77 HCAR3 (0.43) HCAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL186474 0.77 HCAR3 (1.00) HCAR3FYN

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
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
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 302/4885HDAC3 1696/4885HDAC1 1428/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 HCAR3 302/4885HDAC3 1696/4885HDAC1 1428/4885

“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.