SCHEMBL8003082

SCHEMBL8003082

Cn1c(-c2ccccn2)nc(-c2ccc(-c3ncco3)cc2)c1Sc1ccc(Cl)cn1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FAAH O00519 11/20 0.51
KCNH2 Q12809 3/20 0.37
GRM5 P41594 3/20 0.34
CNR1 P21554 1/20 0.34
ACHE P22303 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
SLC2A1 P11166 1/20 0.33
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MEN1 O00255 1/20 0.32
TP53 P04637 1/20 0.32
PKM P14618 1/20 0.32
KMT2A Q03164 1/20 0.32
LTA4H P09960 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
SCHEMBL1303819 0.87 FAAH (0.50) FAAHKCNH2GRM5CNR1ACHE
SCHEMBL8003046 0.86 FAAH (0.56) FAAHKCNH2GRM5CNR1ACHE
SCHEMBL1304110 0.85 FAAH (0.55) FAAHKCNH2GRM5CNR1ACHE
SCHEMBL12106813 0.84 FAAH (0.54) FAAHKCNH2GRM5CNR1ACHE
SCHEMBL1304003 0.80 FAAH (0.80) FAAHKCNH2GRM5CNR1ACHE
SCHEMBL8008181 0.79 FAAH (0.55) FAAHKCNH2GRM5CNR1ACHE
SCHEMBL12106397 0.78 FAAH (0.43) FAAHSLC2A1L3MBTL1MEN1TP53
SCHEMBL7993064 0.77 FAAH (0.76) FAAHKCNH2GRM5L3MBTL1
SCHEMBL8001937 0.75 FAAH (0.41) FAAHGRM5PTGS2KMT2A
SCHEMBL8004010 0.75 FAAH (0.61) FAAHKCNH2GRM5L3MBTL1TP53

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8455528-B2 Imidazole derivatives useful as inhibitors of FAAH MERCK SHARP & DOHME CORP. (US) 2013-06-04 US disclosed
US-8455528-B2 Imidazole derivatives useful as inhibitors of FAAH MERCK SHARP & DOHME CORP. (US) 2013-06-04 US disclosed
US-20110269769-A1 IMIDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK SHARP & DOHME CORP. 2011-11-03 US disclosed
US-20110269769-A1 IMIDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK SHARP & DOHME CORP. 2011-11-03 US disclosed
WO-2009152025-A1 IMIDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK & CO., INC. (US) 2009-12-17 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 (1 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-20110269769-A1 IMIDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH FAAH, FAAH2, HNMT FAAH 1/4885KCNH2 1076/4885GRM5 786/4885

“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.