SCHEMBL1935834

SCHEMBL1935834

CCOC(=O)c1coc(CNc2ccccc2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.48
TSHR P16473 1/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
ALDH1A1 P00352 4/20 0.48
SENP1 Q9P0U3 1/20 0.47
RAB9A P51151 6/20 0.46
NPC1 O15118 5/20 0.46
GAA P10253 1/20 0.46
LMNA P02545 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
USP2 O75604 1/20 0.46
ALOX15 P16050 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MAPK1 P28482 1/20 0.45
NAMPT P43490 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SLC27A1 Q6PCB7 1/20 0.44
POLB P06746 2/20 0.43
PKM P14618 1/20 0.43

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
SCHEMBL1934170 0.80 MAPT (0.54) MAPTTSHRSMN1; SMN2ALDH1A1RAB9A
SCHEMBL10645501 0.80 SMN1; SMN2 (0.50) MAPTTSHRSMN1; SMN2ALDH1A1RAB9A
SCHEMBL1936208 0.79 MAPT (0.53) MAPTTSHRSMN1; SMN2ALDH1A1RAB9A
SCHEMBL1934423 0.77 MAPT (0.54) MAPTTSHRSMN1; SMN2ALDH1A1RAB9A
SCHEMBL27996234 0.76 SMN1; SMN2 (0.73) MAPTSMN1; SMN2ALDH1A1SENP1RAB9A
SCHEMBL6620223 0.76 MAPT (0.46) MAPTTSHRSMN1; SMN2ALDH1A1RAB9A
SCHEMBL13141321 0.75 MAPT (0.54) MAPTTSHRSMN1; SMN2ALDH1A1RAB9A
SCHEMBL1935432 0.75 MAPT (0.52) MAPTTSHRSMN1; SMN2ALDH1A1RAB9A
SCHEMBL27262070 0.75 TNKS (0.50) MAPTTSHRSMN1; SMN2ALDH1A1RAB9A
SCHEMBL1936827 0.74 MAPT (0.47) MAPTTSHRSMN1; SMN2ALDH1A1RAB9A

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 962/4885SMN1; SMN2 4510/4885
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 MAPT 2466/4885TSHR 1030/4885SMN1; SMN2 4544/4885

“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.