SCHEMBL6004440

SCHEMBL6004440

CCc1c(N2C(=O)C=CC2=O)cccc1C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 12/20 0.53
▸ TLR9 Q9NR96 1/20 0.44
▸ FAAH O00519 2/20 0.39
▸ NOTUM Q6P988 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ CES1 P23141 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MAPT P10636 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
SCHEMBL5086724 0.78 MGLL (0.72) MGLLTLR9FAAHTDP1MAPT
SCHEMBL29510657 0.78 TLR9 (0.61) MGLLTLR9FAAHTDP1L3MBTL1
SCHEMBL663870 0.78 TLR9 (0.61) MGLLTLR9FAAHTDP1L3MBTL1
SCHEMBL12313392 0.75 TAAR1 (0.43) TDP1L3MBTL1CES1
SCHEMBL25771233 0.72 GABRA1 (0.46) —
SCHEMBL1535499 0.70 MGLL (1.00) MGLLTLR9FAAHTDP1MAPT
SCHEMBL29510771 0.70 MGLL (1.00) MGLLTLR9FAAHTDP1MAPT
SCHEMBL3870977 0.69 MGLL (0.58) MGLLTLR9FAAHTDP1
SCHEMBL24911005 0.69 CA2 (0.41) TDP1
SCHEMBL13856265 0.69 TAAR1 (0.39) TDP1L3MBTL1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060223875-A1 Methods and compositions for production, formulation and use of 1-aryl-3-azabicyclo[3.1.0]hexanes DOV PHARMACEUTICAL, INC. 2006-10-05 — — 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-20060223875-A1 Methods and compositions for production, formulation and use of 1-aryl-3-azabicyclo[3.1.0]hexanes HTR1B, SLC6A3, CYP1B1 MGLL 2457/4885TLR9 2515/4885FAAH 99/4885

“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.

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