SCHEMBL2809673

SCHEMBL2809673

COc1cncc(C(=O)NC2(C(=O)NCc3ccc(Nc4ccc(F)cc4C(F)(F)F)cc3)CCOC2)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 2/20 0.43
OPRL1 P41146 2/20 0.37
CNR1 P21554 1/20 0.36
BTK Q06187 2/20 0.36
PTK2 Q05397 1/20 0.35
RAF1 P04049 2/20 0.35
CNR2 P34972 1/20 0.34
NAMPT P43490 1/20 0.34
EPHX2 P34913 1/20 0.34
KDM1A O60341 1/20 0.34
HDAC1 Q13547 1/20 0.34
CLK2 P49760 1/20 0.34
CLK3 P49761 1/20 0.34
DYRK1A Q13627 1/20 0.34
WDR5 P61964 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
EGFR P00533 1/20 0.34
PTGES O14684 1/20 0.34
KLKB1 P03952 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
SCHEMBL186207 1.00 BDKRB1 (0.43) BDKRB1OPRL1CNR1BTKPTK2
SCHEMBL186978 0.92 BDKRB1 (0.43) BDKRB1CNR1BTKPTK2RAF1
SCHEMBL2806693 0.92 BDKRB1 (0.43) BDKRB1CNR1BTKPTK2RAF1
SCHEMBL2804932 0.91 BDKRB1 (0.48) BDKRB1CNR1BTKPTK2RAF1
SCHEMBL2804934 0.91 BDKRB1 (0.48) BDKRB1CNR1BTKPTK2RAF1
SCHEMBL186165 0.90 BDKRB1 (0.42) BDKRB1OPRL1CNR1PTK2RAF1
SCHEMBL2809068 0.90 BDKRB1 (0.42) BDKRB1OPRL1CNR1PTK2RAF1
SCHEMBL185998 0.90 BDKRB1 (0.41) BDKRB1OPRL1PTK2RAF1CNR2
SCHEMBL2808383 0.90 BDKRB1 (0.41) BDKRB1OPRL1PTK2RAF1CNR2
SCHEMBL13128639 0.89 BDKRB1 (0.40) BDKRB1OPRL1PTK2CNR2NAMPT

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 2 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-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 BDKRB1 289/4885OPRL1 334/4885CNR1 211/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 BDKRB1 289/4885OPRL1 334/4885CNR1 211/4885

“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.