SCHEMBL2805808

SCHEMBL2805808

CC(C)Oc1ccc(Nc2ccc(CNC(=O)C3(NC(=O)c4cncnc4)CC3)cc2)c(C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 5/20 0.48
NAMPT P43490 3/20 0.40
NR1H4 Q96RI1 1/20 0.38
CNR1 P21554 1/20 0.37
TP53 P04637 2/20 0.37
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36
MAPT P10636 2/20 0.35
PTK2 Q05397 1/20 0.35
EGFR P00533 1/20 0.34
BRAF P15056 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
ABL1 P00519 1/20 0.34
ACACB O00763 1/20 0.34

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
SCHEMBL2782059 0.91 BDKRB1 (0.39) BDKRB1NAMPTNR1H4TP53POLB
SCHEMBL13128516 0.90 BDKRB1 (0.48) BDKRB1NAMPTNR1H4CNR1POLB
SCHEMBL13128518 0.89 BDKRB1 (0.45) BDKRB1CNR1PTK2ABL1ACACB
SCHEMBL13159661 0.87 BDKRB1 (0.46) BDKRB1CNR1EGFRBRAF
SCHEMBL13128425 0.87 BDKRB1 (0.48) BDKRB1NAMPTCNR1PTK2
SCHEMBL2804929 0.85 BDKRB1 (0.47) BDKRB1NAMPTNR1H4CNR1TP53
SCHEMBL13128419 0.85 BDKRB1 (0.47) BDKRB1NAMPTNR1H4PTK2
SCHEMBL10071814 0.84 BDKRB1 (0.44) BDKRB1MAPTPTK2
SCHEMBL2805694 0.84 BDKRB1 (0.54) BDKRB1NAMPTCNR1PTK2
SCHEMBL2804952 0.83 BDKRB1 (0.43) BDKRB1PTK2

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 289/4885NAMPT 3026/4885NR1H4 116/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 BDKRB1 289/4885NAMPT 3026/4885NR1H4 116/4885

“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.