SCHEMBL20576725

SCHEMBL20576725

COc1cnccc1-c1ccc(-c2cn(C(=O)N3CCCCC3Cc3ccccc3)nn2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ DAGLB Q8NCG7 13/20 1.00
▸ DAGLA Q9Y4D2 10/20 1.00
▸ ABHD6 Q9BV23 3/20 0.71

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
SCHEMBL15427260 0.91 DAGLA (1.00) DAGLBDAGLAABHD6
SCHEMBL18921263 0.90 DAGLB (1.00) DAGLBDAGLAABHD6
SCHEMBL18935803 0.87 DAGLB (1.00) DAGLBDAGLAABHD6
SCHEMBL18935804 0.86 DAGLB (1.00) DAGLBDAGLAABHD6
SCHEMBL20575374 0.86 DAGLB (0.84) DAGLBDAGLAABHD6
SCHEMBL20575830 0.86 DAGLA (1.00) DAGLBDAGLAABHD6
SCHEMBL18935806 0.84 DAGLB (1.00) DAGLBDAGLAABHD6
SCHEMBL18921267 0.84 DAGLB (0.88) DAGLBDAGLAABHD6
SCHEMBL20576109 0.84 DAGLB (1.00) DAGLBDAGLAABHD6
SCHEMBL18936598 0.84 DAGLA (0.92) DAGLBDAGLAABHD6

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-10583137-B2 Triazole DAGLα inhibitors THE SCRIPPS RESEARCH INSTITUTE (US) 2020-03-10 — — US disclosed
US-20180344729-A1 TRIAZOLE DAGLAlpha INHIBITORS THE SCRIPPS RESEARCH INSTITUTE 2018-12-06 — — 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-10583137-B2 Triazole DAGLα inhibitors DAGLB, DAGLA, DGKB DAGLB 1/4885DAGLA 2/4885ABHD6 696/4885
US-20180344729-A1 TRIAZOLE DAGLAlpha INHIBITORS DAGLB, DAGLA, DGKB DAGLB 1/4885DAGLA 2/4885ABHD6 436/4885

“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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