SCHEMBL19540482

SCHEMBL19540482

CCCC(C)c1nc2ncccc2o1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FAAH O00519 14/20 0.50
DAGLA Q9Y4D2 8/20 0.48
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
CES1 P23141 2/20 0.43
SHMT2 P34897 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL13505064 0.84 FAAH (0.49) FAAHDAGLANPC1RAB9ACES1
SCHEMBL2624377 0.80 NPC1 (0.46) FAAHDAGLANPC1RAB9ASMN1; SMN2
SCHEMBL3963214 0.79 FAAH (0.54) FAAHDAGLANPC1RAB9ACES1
SCHEMBL3959024 0.78 FAAH (0.55) FAAHDAGLACES1
SCHEMBL3963205 0.78 SORD (0.49) FAAHDAGLANPC1RAB9ASHMT2
SCHEMBL3969330 0.77 FAAH (0.56) FAAHDAGLACES1
SCHEMBL3967020 0.77 FAAH (0.56) FAAHDAGLACES1
SCHEMBL3961792 0.77 FAAH (0.56) FAAHDAGLACES1
SCHEMBL3959306 0.77 FAAH (0.56) FAAHDAGLACES1
SCHEMBL3959446 0.77 FAAH (0.56) FAAHDAGLACES1

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-10383837-B2 Compositions and methods for modulating metabolic pathways NUSIRT SCIENCES, INC. (US) 2019-08-20 US disclosed
US-20170312240-A1 COMPOSITIONS AND METHODS FOR MODULATING METABOLIC PATHWAYS NUMETA SCIENCES, INC. 2017-11-02 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-20170312240-A1 COMPOSITIONS AND METHODS FOR MODULATING METABOLIC PATHWAYS PC, HADHB, ACACB FAAH 2004/4885DAGLA 2416/4885NPC1 2090/4885
US-10383837-B2 Compositions and methods for modulating metabolic pathways PC, HADHB, ACACB FAAH 2004/4885DAGLA 2416/4885NPC1 2090/4885

“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.