SCHEMBL2807818

SCHEMBL2807818

O=C(O)NC1(C(=O)NCc2ncc(Nc3c(F)cccc3C(F)(F)F)cc2F)CC1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.39
BDKRB1 P46663 9/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.35
JAK1 P23458 2/20 0.34
JAK3 P52333 2/20 0.34
JAK2 O60674 1/20 0.33
NTRK1 P04629 1/20 0.33
P2RX7 Q99572 3/20 0.33
MAPT P10636 1/20 0.32
DHODH Q02127 1/20 0.32
FFAR1 O14842 1/20 0.31

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
SCHEMBL2810740 0.89 BDKRB1 (0.37) PTGS2BDKRB1CNR1CNR2JAK1
SCHEMBL2806879 0.88 BDKRB1 (0.41) PTGS2BDKRB1CNR1CNR2JAK1
SCHEMBL185944 0.87 FAAH (0.36) PTGS2BDKRB1CNR1CNR2JAK1
SCHEMBL2806933 0.87 BDKRB1 (0.42) PTGS2BDKRB1CNR1CNR2JAK1
SCHEMBL2807315 0.87 CNR1 (0.36) PTGS2BDKRB1CNR1CNR2JAK1
SCHEMBL2806932 0.87 BDKRB1 (0.37) PTGS2BDKRB1CNR1CNR2JAK1
SCHEMBL2808456 0.87 CNR1 (0.37) PTGS2BDKRB1CNR1CNR2JAK1
SCHEMBL2805645 0.87 CNR2 (0.34) PTGS2BDKRB1CNR1CNR2JAK1
SCHEMBL2808123 0.86 PTGS2 (0.41) PTGS2CNR2JAK1JAK3JAK2
SCHEMBL2805268 0.86 BDKRB1 (0.35) PTGS2BDKRB1CNR1CNR2JAK1

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 PTGS2 3027/4885BDKRB1 289/4885CNR1 211/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 PTGS2 3027/4885BDKRB1 289/4885CNR1 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.