SCHEMBL186165

SCHEMBL186165

Cc1cncc(C(=O)N[C@@]2(C(=O)NCc3ccc(Nc4ccc(F)cc4C(F)(F)F)cc3)CCOC2)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 2/20 0.42
OPRL1 P41146 3/20 0.38
CNR2 P34972 2/20 0.36
KDM1A O60341 3/20 0.34
HDAC1 Q13547 3/20 0.34
PTK2 Q05397 1/20 0.34
CNR1 P21554 1/20 0.34
ACKR3 P25106 2/20 0.33
CYP2C9 P11712 2/20 0.33
NAMPT P43490 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
RAF1 P04049 2/20 0.33
ALDH1A1 P00352 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
SCHEMBL2809068 1.00 BDKRB1 (0.42) BDKRB1OPRL1CNR2KDM1AHDAC1
SCHEMBL2808383 0.92 BDKRB1 (0.41) BDKRB1OPRL1CNR2KDM1AHDAC1
SCHEMBL185998 0.92 BDKRB1 (0.41) BDKRB1OPRL1CNR2KDM1AHDAC1
SCHEMBL13128639 0.91 BDKRB1 (0.40) BDKRB1OPRL1CNR2KDM1AHDAC1
SCHEMBL2813417 0.91 BDKRB1 (0.41) BDKRB1OPRL1CNR2HDAC1PTK2
SCHEMBL2809673 0.90 BDKRB1 (0.43) BDKRB1OPRL1CNR2KDM1AHDAC1
SCHEMBL186207 0.90 BDKRB1 (0.43) BDKRB1OPRL1CNR2KDM1AHDAC1
SCHEMBL2809544 0.89 OPRL1 (0.39) BDKRB1OPRL1CNR2HDAC1PTK2
SCHEMBL2808552 0.86 PTK2 (0.41) BDKRB1OPRL1CNR2HDAC1PTK2
SCHEMBL2807467 0.86 OPRL1 (0.38) BDKRB1OPRL1CNR2HDAC1PTK2

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 9 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

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 289/4885OPRL1 334/4885CNR2 882/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 BDKRB1 289/4885OPRL1 334/4885CNR2 882/4885

“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.