SCHEMBL1934433

SCHEMBL1934433

CCOC(=O)c1coc(CNC2CCC2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.53
TSHR P16473 2/20 0.53
ALOX15 P16050 2/20 0.44
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
ABL1 P00519 1/20 0.42
POLB P06746 1/20 0.42
RIN1 Q13671 1/20 0.42
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
TP53 P04637 2/20 0.40
USP2 O75604 1/20 0.40
ADORA3 P0DMS8 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
LMNA P02545 1/20 0.39
ADRB2 P07550 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39

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
SCHEMBL1935432 0.95 MAPT (0.52) MAPTTSHRALOX15MEN1KMT2A
SCHEMBL1935379 0.81 MAPT (0.54) MAPTTSHRALOX15MEN1KMT2A
SCHEMBL1934170 0.79 MAPT (0.54) MAPTTSHRMEN1KMT2AKDM4E
SCHEMBL1934423 0.79 MAPT (0.54) MAPTTSHRMEN1KMT2AKDM4E
SCHEMBL1936208 0.78 MAPT (0.53) MAPTTSHRMEN1KMT2APOLB
SCHEMBL13141321 0.74 MAPT (0.54) MAPTTSHRMEN1KMT2AKDM4E
SCHEMBL4482440 0.73 CA1 (0.47) MAPTTSHRMEN1KMT2AKDM4E
SCHEMBL1936827 0.73 MAPT (0.47) MAPTTSHRMEN1KMT2AKDM4E
SCHEMBL1935834 0.73 MAPT (0.48) MAPTTSHRALOX15MEN1KMT2A
SCHEMBL1934376 0.72 MAPT (0.46) MAPTTSHRMEN1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140073627-A1 BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2014-03-13 US disclosed
US-20140073627-A1 BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2014-03-13 US disclosed
US-20140073627-A1 BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2014-03-13 US disclosed
US-8623859-B2 Bradykinin B1 antagonists EVOTEC AG (DE) 2014-01-07 US disclosed
US-8623859-B2 Bradykinin B1 antagonists EVOTEC AG (DE) 2014-01-07 US disclosed
US-8623859-B2 Bradykinin B1 antagonists EVOTEC AG (DE) 2014-01-07 US disclosed
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2011-08-18 US disclosed
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2011-08-18 US disclosed
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2011-08-18 US disclosed
EP-2331518-A1 NEW BRADYKININ B1 ANTAGONISTS Evotec AG (DE) 2011-06-15 EP disclosed
WO-2010020556-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC NEUROSCIENCES GMBH (DE) 2010-02-25 WO disclosed
WO-2010020556-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC NEUROSCIENCES GMBH (DE) 2010-02-25 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-20140073627-A1 BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 MAPT 2733/4885TSHR 962/4885ALOX15 1526/4885
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 MAPT 2466/4885TSHR 1030/4885ALOX15 1621/4885

“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.