SCHEMBL756549

SCHEMBL756549

CC(N)c1ccc(Oc2ccc(OC(F)F)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.42
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
SLC6A4 P31645 1/20 0.39
PDE2A O00408 2/20 0.39
DRD1 P21728 1/20 0.38
PKM P14618 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
HSP90AA1 P07900 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
CCR6 P51684 1/20 0.37
ATM Q13315 1/20 0.37
ALOX15 P16050 1/20 0.37
GFER P55789 1/20 0.37
ADAM17 P78536 1/20 0.37
ACACB O00763 1/20 0.36
ACACA Q13085 1/20 0.36

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
SCHEMBL957779 0.94 ADRB2 (0.46) ADRB2MEN1KMT2ASLC6A4PDE2A
SCHEMBL3647104 0.94 ADRB2 (0.46) ADRB2MEN1KMT2ASLC6A4PDE2A
Hydrochloric Acid SCHEMBL19362148 0.92 ADRB2 (0.45) ADRB2MEN1KMT2ASLC6A4PDE2A
Hydrochloric Acid SCHEMBL4934770 0.92 ADRB2 (0.45) ADRB2MEN1KMT2ASLC6A4PDE2A
SCHEMBL24152555 0.85 ADRB2 (0.54) ADRB2MEN1KMT2APDE2AALDH1A1
SCHEMBL184737 0.84 ROCK1 (0.47) ADRB2MEN1KMT2APKML3MBTL1
Fluorobenzene SCHEMBL8604973 0.82 KMT2A (0.45) ADRB2MEN1KMT2ASLC6A4PKM
SCHEMBL16649847 0.80 SOS1 (0.46) ADRB2MEN1KMT2APDE2AALDH1A1
SCHEMBL4380562 0.80 SOS1 (0.46) ADRB2MEN1KMT2APDE2AALDH1A1
SCHEMBL16225180 0.78 MEN1 (0.40) MEN1KMT2ASLC6A4PDE2ADRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8916589-B2 Bradykinin B1-antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-12-23 US disclosed
US-8916589-B2 Bradykinin B1-antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-12-23 US disclosed
US-8916589-B2 Bradykinin B1-antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-12-23 US disclosed
EP-2188254-B1 NOVEL BRADYKININ B1-ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2012-03-21 EP disclosed
US-20110263626-A1 NOVEL BRADYKININ B1-ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-27 US disclosed
US-20110263626-A1 NOVEL BRADYKININ B1-ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-27 US disclosed
US-20110263626-A1 NOVEL BRADYKININ B1-ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-27 US disclosed
EP-2188254-A1 NOVEL BRADYKININ B1-ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2010-05-26 EP disclosed
WO-2009027450-A1 NOVEL BRADYKININ B1-ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-03-05 WO disclosed
WO-2009027450-A1 NOVEL BRADYKININ B1-ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-03-05 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 (1 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-20110263626-A1 NOVEL BRADYKININ B1-ANTAGONISTS BDKRB1, BDKRB2, EDNRB ADRB2 81/4885MEN1 341/4885KMT2A 3881/4885

“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.