SCHEMBL185791

SCHEMBL185791

CC(N)c1ccc(Nc2ccc(Br)cc2C(F)(F)F)cn1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.38
HRH4 Q9H3N8 1/20 0.36
KDM1A O60341 2/20 0.35
CHEK1 O14757 1/20 0.33
S1PR4 O95977 3/20 0.33
S1PR3 Q99500 2/20 0.32
SOS1 Q07889 1/20 0.32
MPO P05164 1/20 0.32
CDK1 P06493 1/20 0.31
CDK4 P11802 1/20 0.31
MAPK3 P27361 1/20 0.31
EGFR P00533 1/20 0.31
KDR P35968 1/20 0.31
KIT P10721 1/20 0.31
FLT3 P36888 1/20 0.31
TRPV1 Q8NER1 1/20 0.31
CNR2 P34972 1/20 0.31

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
Trifluoroacetic Acid SCHEMBL185819 0.92 MPO (0.36) OPRM1HRH4S1PR4MPOEGFR
SCHEMBL185873 0.88 SCN1A (0.34) CHEK1SOS1KITFLT3CNR2
SCHEMBL185604 0.85 RAB9A (0.38) CNR2
SCHEMBL27870360 0.85 OPRM1 (0.36) OPRM1HRH4KDM1AS1PR4S1PR3
SCHEMBL27870357 0.85 CNR2 (0.37) OPRM1S1PR4MPOEGFRKDR
SCHEMBL185437 0.82 ALDH1A1 (0.45) EGFRTRPV1
SCHEMBL185727 0.81 OPRM1 (0.37) OPRM1HRH4KDM1AS1PR3SOS1
SCHEMBL184811 0.81 OPRM1 (0.44) OPRM1KDM1AS1PR4MPOCNR2
SCHEMBL186066 0.80 OPRM1 (0.37) OPRM1KDM1ACHEK1S1PR4MPO
SCHEMBL27853681 0.78 OPRM1 (0.39) OPRM1KDM1AS1PR4MPOCDK1

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
EP-2401256-B1 Compounds as bradykinin B1 antagonists BOEHRINGER INGELHEIM INT (DE) 2013-04-17 EP disclosed
CN-102414177-A Compounds as bradykinin b1 antagonists BOEHRINGER INGELHEIM INT 2012-04-11 CN 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 OPRM1 160/4885HRH4 71/4885KDM1A 3672/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 OPRM1 160/4885HRH4 71/4885KDM1A 3672/4885

“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.