SCHEMBL2807467

SCHEMBL2807467

CC(C)c1ncc(C(=O)N[C@@]2(C(=O)NCc3ccc(Nc4ccc(F)cc4C(F)(F)F)cc3)CCOC2)cn1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 3/20 0.38
CNR2 P34972 5/20 0.37
PTK2 Q05397 2/20 0.36
BDKRB1 P46663 3/20 0.35
HDAC3 O15379 2/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC2 Q92769 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPK3 P27361 1/20 0.33
MAPK1 P28482 1/20 0.33
VNN1 O95497 1/20 0.33
RAF1 P04049 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
SCHEMBL2809544 0.92 OPRL1 (0.39) OPRL1CNR2PTK2BDKRB1HDAC3
SCHEMBL2808552 0.90 PTK2 (0.41) OPRL1CNR2PTK2BDKRB1HDAC3
SCHEMBL2809806 0.90 BDKRB1 (0.38) OPRL1CNR2PTK2BDKRB1HDAC3
SCHEMBL199266 0.89 OPRL1 (0.36) OPRL1CNR2PTK2BDKRB1
SCHEMBL2813172 0.89 HDAC3 (0.42) OPRL1CNR2PTK2BDKRB1HDAC3
SCHEMBL2813417 0.88 BDKRB1 (0.41) OPRL1CNR2PTK2BDKRB1HDAC3
SCHEMBL2811657 0.87 CNR2 (0.37) OPRL1CNR2PTK2BDKRB1HDAC3
SCHEMBL186503 0.87 CNR2 (0.37) OPRL1CNR2PTK2BDKRB1HDAC3
SCHEMBL2809068 0.86 BDKRB1 (0.42) OPRL1CNR2PTK2BDKRB1HDAC1
SCHEMBL186165 0.86 BDKRB1 (0.42) OPRL1CNR2PTK2BDKRB1HDAC1

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
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

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 OPRL1 334/4885CNR2 882/4885PTK2 3921/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 OPRL1 334/4885CNR2 882/4885PTK2 3921/4885

“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.