SCHEMBL753616

SCHEMBL753616

COc1ccc(OCc2ccccc2)c(C(F)(F)F)c1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.54
ABCB1 P08183 3/20 0.50
HTR1A P08908 1/20 0.50
DRD2 P14416 1/20 0.50
MRGPRX4 Q96LA9 5/20 0.48
RXRA P19793 2/20 0.48
RXRB P28702 2/20 0.48
RXRG P48443 2/20 0.48
MTNR1A P48039 2/20 0.47
MTNR1B P49286 2/20 0.47
HDAC8 Q9BY41 1/20 0.46
GSK3B P49841 1/20 0.46
CDK5 Q00535 1/20 0.46
CDK5R1 Q15078 1/20 0.46

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
SCHEMBL8557138 0.83 MRGPRX4 (0.44) MRGPRX4RXRARXRBRXRG
SCHEMBL8636209 0.82 LTA4H (0.50) MRGPRX4RXRARXRBRXRG
SCHEMBL14453588 0.82 MRGPRX4 (0.50) MRGPRX4RXRARXRBRXRG
SCHEMBL20756090 0.81 RXRA (0.54) HTR1ADRD2MRGPRX4RXRARXRB
SCHEMBL12842799 0.81 MAOB (0.49) MAOBABCB1HTR1ADRD2MRGPRX4
SCHEMBL27882779 0.80 MAOB (0.58) MAOBABCB1HTR1ADRD2MTNR1A
SCHEMBL15600393 0.80 CCR5 (0.51) MAOBRXRARXRBRXRG
SCHEMBL13791570 0.80 MAOB (0.62) MAOBABCB1HTR1ADRD2HDAC8
SCHEMBL12772071 0.80 MAOB (0.62) MAOBABCB1HTR1ADRD2HDAC8
SCHEMBL5388117 0.79 RXRA (0.60) MRGPRX4RXRARXRBRXRG

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-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
WO-2010097374-A1 COMPOUNDS FOR USE AS BRADYKININ B1 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 WO 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

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 MAOB 420/4885ABCB1 679/4885HTR1A 621/4885

“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.