SCHEMBL2808283

SCHEMBL2808283

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
BDKRB1 P46663 7/20 0.41
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
FPR2 P25090 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
CTSL P07711 2/20 0.34
CTSB P07858 2/20 0.34
CTSS P25774 2/20 0.34
ALOX15 P16050 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
CNR1 P21554 1/20 0.33
MAPT P10636 1/20 0.33
PKM P14618 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
SCHEMBL13128603 0.91 BDKRB1 (0.43) RAB9ABDKRB1CNR1
SCHEMBL2807389 0.91 BDKRB1 (0.42) RAB9ANPC1BDKRB1KMT2ASMN1; SMN2
SCHEMBL13128606 0.90 BDKRB1 (0.42) BDKRB1CNR1
SCHEMBL2805681 0.90 BDKRB1 (0.43) BDKRB1KMT2AMEN1FPR2GAA
SCHEMBL186372 0.89 RAB9A (0.40) RAB9ANPC1BDKRB1KMT2AMEN1
SCHEMBL2808636 0.88 BDKRB1 (0.41) RAB9ANPC1BDKRB1KMT2AFPR2
SCHEMBL2809358 0.87 BDKRB1 (0.40) RAB9ANPC1BDKRB1FPR2CTSL
SCHEMBL2808099 0.86 BDKRB1 (0.40) NPC1BDKRB1FPR2CNR1
SCHEMBL2808761 0.82 BDKRB1 (0.40) RAB9ABDKRB1CTSLKDM4ECNR1
SCHEMBL13160124 0.81 BDKRB1 (0.40) BDKRB1CTSLCTSSCNR1

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 RAB9A 347/4885NPC1 926/4885BDKRB1 289/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 RAB9A 347/4885NPC1 926/4885BDKRB1 289/4885

“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.