SCHEMBL26060663

SCHEMBL26060663

C#Cc1cnc(C(C)C)cn1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 1/20 0.32
▸ GRM5 P41594 1/20 0.31
▸ CYP1A2 P05177 1/20 0.30

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
SCHEMBL2628915 0.80 PANK3 (0.35) —
SCHEMBL26832043 0.80 HDAC8 (0.37) HDAC8GRM5CYP1A2
SCHEMBL5950443 0.80 NOS3 (0.33) —
SCHEMBL10141485 0.77 — —
SCHEMBL889351 0.77 TLR7 (0.32) —
SCHEMBL2031652 0.71 — —
SCHEMBL179296 0.71 SIRT6 (0.35) —
SCHEMBL26060656 0.70 — —
SCHEMBL2738306 0.70 HDAC8 (0.33) HDAC8GRM5
SCHEMBL13341849 0.70 GRM5 (0.39) HDAC8GRM5

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-20230250129-A1 NEUROACTIVE STEROIDS AND COMPOSITIONS THEREOF SAGE THERAPEUTICS, INC. 2023-08-10 — — 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-20230250129-A1 NEUROACTIVE STEROIDS AND COMPOSITIONS THEREOF MC2R, NR3C2, AVPR1B HDAC8 2829/4885GRM5 105/4885CYP1A2 535/4885

“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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