SCHEMBL2808488

SCHEMBL2808488

Cc1ncc(C(=O)N[C@@]2(C(=O)O)CCOC2)cn1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 4/20 0.39
P2RX7 Q99572 3/20 0.38
HDAC3 O15379 5/20 0.38
HDAC1 Q13547 5/20 0.38
HDAC2 Q92769 5/20 0.38
HDAC6 Q9UBN7 5/20 0.38
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
SMYD3 Q9H7B4 1/20 0.34
DGAT2 Q96PD7 3/20 0.33

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
SCHEMBL2808491 1.00 VNN1 (0.39) VNN1P2RX7HDAC3HDAC1HDAC2
SCHEMBL2812645 0.87 HDAC3 (0.41) VNN1HDAC3HDAC1HDAC2HDAC6
SCHEMBL184726 0.87 HDAC3 (0.41) VNN1HDAC3HDAC1HDAC2HDAC6
SCHEMBL185322 0.84 SMYD3 (0.40) HDAC3HDAC1HDAC2HDAC6SMYD3
SCHEMBL2787462 0.83 VNN1 (0.40) VNN1HDAC3HDAC1HDAC2HDAC6
SCHEMBL186662 0.83 VNN1 (0.40) VNN1HDAC3HDAC1HDAC2HDAC6
SCHEMBL185595 0.83 VNN1 (0.40) VNN1HDAC3HDAC1HDAC2HDAC6
SCHEMBL2806949 0.81 HDAC1 (0.48) HDAC3HDAC1HDAC2HDAC6CYP4F2
SCHEMBL2806944 0.81 HDAC1 (0.48) HDAC3HDAC1HDAC2HDAC6CYP4F2
SCHEMBL14856639 0.78 VNN1 (0.37) VNN1P2RX7HDAC3HDAC1HDAC2

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
US-20130131075-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-23 US 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
EP-2401256-B1 Compounds as bradykinin B1 antagonists BOEHRINGER INGELHEIM INT (DE) 2013-04-17 EP disclosed
US-20100240669-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-23 US disclosed
US-20100240669-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-23 US disclosed
US-20100240669-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-23 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-20130131075-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 VNN1 3094/4885P2RX7 30/4885HDAC3 1696/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 VNN1 3094/4885P2RX7 30/4885HDAC3 1696/4885

“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.