SCHEMBL2808159

SCHEMBL2808159

COc1cc(OC)cc(C(=O)N[C@@]2(C(=O)NCc3ccc(Nc4ccccc4C(F)(F)F)cc3)CCOC2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.43
BDKRB1 P46663 1/20 0.40
GAA P10253 2/20 0.40
ALDH1A1 P00352 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
CNR2 P34972 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
MAPK14 Q16539 1/20 0.38
MCHR1 Q99705 1/20 0.38
POLB P06746 1/20 0.37
MAPT P10636 2/20 0.37
ALOX15 P16050 1/20 0.37

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
SCHEMBL2813652 0.94 KMT2A (0.42) BDKRB1GAAALDH1A1SMN1; SMN2MEN1
SCHEMBL2809237 0.93 GAA (0.44) GAAALDH1A1TDP1CNR2MEN1
SCHEMBL2804932 0.92 BDKRB1 (0.48) KCNH2BDKRB1GAAALDH1A1CNR2
SCHEMBL2804934 0.92 BDKRB1 (0.48) KCNH2BDKRB1GAAALDH1A1CNR2
SCHEMBL2810328 0.88 BDKRB1 (0.37) BDKRB1ALDH1A1KDM4EHTTSMN1; SMN2
SCHEMBL2805499 0.87 BDKRB1 (0.41) KCNH2BDKRB1GAACNR2POLB
SCHEMBL2808664 0.87 BDKRB1 (0.40) BDKRB1GAACNR2POLBMAPT
SCHEMBL2808667 0.87 BDKRB1 (0.40) BDKRB1GAACNR2POLBMAPT
SCHEMBL185723 0.87 KCNH2 (0.41) KCNH2GAAALDH1A1TDP1KDM4E
SCHEMBL2808927 0.86 LMNA (0.39) BDKRB1GAAALDH1A1TDP1KDM4E

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 6 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
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
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 KCNH2 717/4885BDKRB1 289/4885GAA 1561/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 KCNH2 717/4885BDKRB1 289/4885GAA 1561/4885

“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.