SCHEMBL2807389

SCHEMBL2807389

O=C(NC1(C(=O)NCc2ccc(Nc3ccc(Cl)cc3Cl)cn2)CC1)c1cncnc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 7/20 0.42
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
KMT2A Q03164 1/20 0.40
CNR2 P34972 5/20 0.36
HTT P42858 1/20 0.35
HPGD P15428 1/20 0.35
EPHX2 P34913 1/20 0.35
DHODH Q02127 1/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
CYP2D6 P10635 1/20 0.34
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CNR1 P21554 2/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL13128606 0.92 BDKRB1 (0.42) BDKRB1CNR2CNR1
SCHEMBL13128603 0.91 BDKRB1 (0.43) BDKRB1RAB9AHPGDDHODHCYP2C9
SCHEMBL2808283 0.91 RAB9A (0.41) BDKRB1RAB9ANPC1KMT2AHTT
SCHEMBL2808636 0.91 BDKRB1 (0.41) BDKRB1RAB9ANPC1KMT2ADHODH
SCHEMBL2808761 0.89 BDKRB1 (0.40) BDKRB1RAB9ACNR2CYP2C19CYP2D6
SCHEMBL186807 0.89 RAB9A (0.38) BDKRB1RAB9ANPC1KMT2ACNR2
SCHEMBL2805681 0.82 BDKRB1 (0.43) BDKRB1KMT2ACYP2C9CYP2C19CYP2D6
SCHEMBL13160124 0.82 BDKRB1 (0.40) BDKRB1CNR2CNR1
SCHEMBL2805859 0.82 BDKRB1 (0.41) BDKRB1CNR2CNR1
SCHEMBL2805925 0.82 CNR2 (0.37) BDKRB1RAB9ACNR2CYP2C19CYP2D6

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 7 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
EP-2401256-B1 Compounds as bradykinin B1 antagonists BOEHRINGER INGELHEIM INT (DE) 2013-04-17 EP 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 BDKRB1 289/4885RAB9A 347/4885NPC1 926/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 BDKRB1 289/4885RAB9A 347/4885NPC1 926/4885

“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.