SCHEMBL424244

SCHEMBL424244

Cc1ccc(-c2cn(C(=O)N(C)C3CCNCC3)cn2)cc1F

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.48
CES2 O00748 1/20 0.48
KMO O15229 2/20 0.39
KCNH2 Q12809 3/20 0.39
KIF11 P52732 2/20 0.39
ABL1 P00519 1/20 0.38
PLAT P00750 1/20 0.37
GRIN2B Q13224 1/20 0.37
NISCH Q9Y2I1 1/20 0.37
HSD11B1 P28845 1/20 0.35
TLR9 Q9NR96 1/20 0.35
TLR8 Q9NR97 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
SLC6A3 Q01959 1/20 0.34
GSK3B P49841 3/20 0.34
DYRK1A Q13627 3/20 0.34
WNT1 P04628 2/20 0.34
P2RY14 Q15391 1/20 0.34
MCHR1 Q99705 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
SCHEMBL17853478 0.90 FAAH (0.50) FAAHCES2KCNH2KIF11ABL1
SCHEMBL464456 0.87 FAAH (0.46) FAAHCES2KCNH2KIF11PLAT
SCHEMBL17828659 0.87 FAAH (0.53) FAAHCES2KCNH2KIF11PLAT
Hydrochloric Acid SCHEMBL446050 0.86 FAAH (0.45) FAAHCES2KCNH2KIF11PLAT
SCHEMBL428013 0.85 FAAH (0.53) FAAHCES2KCNH2KIF11TLR9
SCHEMBL16424116 0.84 FAAH (0.46) FAAHCES2KCNH2ABL1GRIN2B
Bromide SCHEMBL16432654 0.84 FAAH (0.52) FAAHCES2KCNH2KIF11TLR9
SCHEMBL427429 0.83 FAAH (0.59) FAAHCES2KCNH2KIF11SLC6A3
Hydrochloric Acid SCHEMBL16416787 0.83 FAAH (0.46) FAAHCES2KCNH2ABL1GRIN2B
SCHEMBL425329 0.82 FAAH (0.50) FAAHCES2PLATGRIN2BTLR9

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-9353082-B2 Pharmaceutical compounds BIAL—PORTELA & CA, S.A. (PT) 2016-05-31 US disclosed
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2012-03-15 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 (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-20120065191-A1 PHARMACEUTICAL COMPOUNDS FAAH, FAAH2, ASAH1 FAAH 1/4885CES2 62/4885KMO 306/4885

“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.