SCHEMBL2808636

SCHEMBL2808636

O=C(NC1(C(=O)NCc2ccc(Nc3ccc(Cl)cc3Br)cn2)CC1)c1cncnc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 10/20 0.41
CNR1 P21554 1/20 0.33
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.33
KMT2A Q03164 1/20 0.33
FPR2 P25090 2/20 0.32
ALDH1A1 P00352 1/20 0.32
CTSL P07711 1/20 0.32
CTSK P43235 1/20 0.32
DHODH Q02127 1/20 0.32
HDAC3 O15379 2/20 0.31
HDAC1 Q13547 2/20 0.31
HDAC2 Q92769 2/20 0.31
HDAC6 Q9UBN7 2/20 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
SCHEMBL2807389 0.91 BDKRB1 (0.42) BDKRB1CNR1RAB9ANPC1KMT2A
SCHEMBL14856806 0.89 TRPV1 (0.36) BDKRB1RAB9ANPC1KMT2AFPR2
SCHEMBL2808283 0.88 RAB9A (0.41) BDKRB1CNR1RAB9ANPC1KMT2A
SCHEMBL2808761 0.87 BDKRB1 (0.40) BDKRB1CNR1RAB9ACTSL
SCHEMBL13128606 0.85 BDKRB1 (0.42) BDKRB1CNR1HDAC3HDAC1HDAC2
SCHEMBL2805681 0.84 BDKRB1 (0.43) BDKRB1KMT2AFPR2CTSLCTSK
SCHEMBL13128603 0.84 BDKRB1 (0.43) BDKRB1CNR1RAB9ADHODH
SCHEMBL2809358 0.82 BDKRB1 (0.40) BDKRB1RAB9ANPC1FPR2CTSL
SCHEMBL2805231 0.81 KMT2A (0.38) RAB9ANPC1KMT2ADHODH
SCHEMBL2808099 0.81 BDKRB1 (0.40) BDKRB1CNR1NPC1FPR2

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 289/4885CNR1 211/4885RAB9A 347/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 BDKRB1 289/4885CNR1 211/4885RAB9A 347/4885

“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.