SCHEMBL185487

SCHEMBL185487

N#Cc1ccc(Nc2ccc(OCC(F)F)cc2C(F)(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.41
CSNK1A1 P48729 1/20 0.38
CSNK1D P48730 1/20 0.38
GSK3B P49841 1/20 0.38
CSNK1G2 P78368 1/20 0.38
PDE10A Q9Y233 1/20 0.38
TRPV4 Q9HBA0 1/20 0.38
ACP1 P24666 1/20 0.36
CNR2 P34972 1/20 0.36
BACE2 Q9Y5Z0 1/20 0.35
SLC22A12 Q96S37 1/20 0.35
CETP P11597 1/20 0.35
ACACB O00763 1/20 0.35
KIF11 P52732 1/20 0.35
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
SCN9A Q15858 2/20 0.34

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
SCHEMBL186299 0.85 AR (0.44) ARCSNK1A1CSNK1DGSK3BCSNK1G2
SCHEMBL185482 0.82 MAOB (0.40) ACACB
SCHEMBL674094 0.81 ACP1 (0.49) ARGSK3BACP1CNR2BACE2
SCHEMBL202821 0.81 AR (0.42) ARCSNK1A1CSNK1DGSK3BCSNK1G2
SCHEMBL20766303 0.76 ALDH1A1 (0.49) ACACBMMP2MMP3KDM4EALDH1A1
Hydrochloric Acid SCHEMBL2805730 0.71 AKT2 (0.38) CNR2ACACB
SCHEMBL2779286 0.71 PTGES (0.34) CNR2ACACB
SCHEMBL16481443 0.70 SLC22A12 (0.55) ACP1SLC22A12KIF11KDM4EALDH1A1
Hydrochloric Acid SCHEMBL2805728 0.70 PTGES (0.34) CNR2ACACB
SCHEMBL185552 0.68 MGLL (0.39) ARKDM4EALDH1A1GAA

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 5 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
EP-2401256-B1 Compounds as bradykinin B1 antagonists BOEHRINGER INGELHEIM INT (DE) 2013-04-17 EP disclosed
EP-2401256-A1 COMPOUNDS AS BRADYKININ B1 ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2012-01-04 EP 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 AR 1452/4885CSNK1A1 213/4885CSNK1D 125/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 AR 1452/4885CSNK1A1 213/4885CSNK1D 125/4885

“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.