SCHEMBL2808158

SCHEMBL2808158

CC(NC(=O)C1(NC(=O)c2cncnc2)CC1)c1ccc(Nc2ccc(OC(F)F)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 8/20 0.61
CNR1 P21554 6/20 0.43
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
PDE2A O00408 1/20 0.40
ACACB O00763 2/20 0.38
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL765602 0.92 BDKRB1 (0.63) BDKRB1CNR1KMT2APDE2AACACB
SCHEMBL14856694 0.90 BDKRB1 (0.48) BDKRB1CNR1KMT2AMEN1PDE2A
SCHEMBL12239088 0.87 BDKRB1 (0.63) BDKRB1CNR1ACACB
SCHEMBL14865446 0.86 BDKRB1 (0.68) BDKRB1CNR1
SCHEMBL765554 0.81 BDKRB1 (0.67) BDKRB1CNR1KMT2AMEN1ACACB
SCHEMBL764514 0.81 BDKRB1 (0.67) BDKRB1CNR1ACACB
SCHEMBL3652769 0.80 BDKRB1 (0.74) BDKRB1CNR1PDE2A
SCHEMBL3649078 0.80 BDKRB1 (0.74) BDKRB1CNR1PDE2A
SCHEMBL10121536 0.77 BDKRB1 (0.60) BDKRB1CNR1
SCHEMBL12239077 0.76 BDKRB1 (0.59) BDKRB1CNR1ACACB

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
US-20130131075-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-23 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
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 211/4885KMT2A 4682/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 BDKRB1 289/4885CNR1 211/4885KMT2A 4682/4885

“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.