SCHEMBL186010

SCHEMBL186010

Cc1cc(Nc2ccc(Cl)cc2C(F)(F)F)cnc1CNC(=O)C1(NC(=O)c2cncc(N)c2)CC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 3/20 0.39
CNR2 P34972 5/20 0.35
RAB9A P51151 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
DDR1 Q08345 2/20 0.35
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CTSL P07711 2/20 0.33
CRHR1 P34998 1/20 0.33
CTSK P43235 1/20 0.33
P2RX7 Q99572 1/20 0.32
GNRHR P30968 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL14865313 0.93 BDKRB1 (0.40) BDKRB1CNR2DDR1CTSLCTSK
SCHEMBL185700 0.93 CNR2 (0.38) BDKRB1CNR2RAB9ACYP1A2CYP2D6
SCHEMBL2808203 0.93 CNR2 (0.38) BDKRB1CNR2RAB9ACYP1A2CYP2D6
SCHEMBL186879 0.90 BDKRB1 (0.44) BDKRB1CYP1A2CYP2C19DDR1
SCHEMBL2805241 0.89 RAB9A (0.38) BDKRB1CNR2RAB9ACYP1A2CYP2D6
SCHEMBL186117 0.87 BDKRB1 (0.39) BDKRB1CNR2RAB9ACYP1A2CYP2D6
SCHEMBL185957 0.87 BDKRB1 (0.39) BDKRB1CNR2P2RX7GNRHR
SCHEMBL185489 0.86 CNR2 (0.38) BDKRB1CNR2RAB9ACYP1A2CYP2D6
SCHEMBL2806178 0.86 CNR2 (0.38) BDKRB1CNR2RAB9ACYP1A2CYP2D6
SCHEMBL2809999 0.86 BDKRB1 (0.36) BDKRB1CNR2

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 10 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
EP-2401256-B1 Compounds as bradykinin B1 antagonists BOEHRINGER INGELHEIM INT (DE) 2013-04-17 EP disclosed
EP-2401256-A1 COMPOUNDS AS BRADYKININ B1 ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2012-01-04 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
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 289/4885CNR2 882/4885RAB9A 347/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 BDKRB1 289/4885CNR2 882/4885RAB9A 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.