SCHEMBL24033331

SCHEMBL24033331

COC(=O)c1cnc(N2CC[C@@H](NC3CC3)C2)cn1

nearest known ligand 0.50

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 16/20 0.50
SMO Q99835 1/20 0.46

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
SCHEMBL24817638 0.89 SMO (0.49) SMO
SCHEMBL30181756 0.89 SMO (0.49) SMO
SCHEMBL24033384 0.83 SMO (0.48) SMO
SCHEMBL2219386 0.82 SMO (0.48) SMO
SCHEMBL24817207 0.82 JAK3 (0.52)
SCHEMBL30665075 0.82 JAK3 (0.52)
SCHEMBL24033526 0.81 OPRK1 (0.48) OPRK1SMO
SCHEMBL26712558 0.80 SMO (0.48) SMO
SCHEMBL26712490 0.80 SMO (0.44) SMO
SCHEMBL24033271 0.79 OPRK1 (0.49) OPRK1SMO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11806346-B2 HTT modulators for treating Huntington's disease CHDI FOUNDATION, INC. (US) 2023-11-07 US disclosed
US-11806346-B2 HTT modulators for treating Huntington's disease CHDI FOUNDATION, INC. (US) 2023-11-07 US disclosed
US-20220409615-A1 HTT MODULATORS FOR TREATING HUNTINGTON'S DISEASE CHDI FOUNDATION, INC. 2022-12-29 US disclosed
WO-2021231571-A1 HTT MODULATORS FOR TREATING HUNTINGTON'S DISEASE CHDI FOUNDATION, INC. (US) 2021-11-18 WO 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-20220409615-A1 HTT MODULATORS FOR TREATING HUNTINGTON'S DISEASE HTT, HYPK, ATXN2 OPRK1 1989/4885SMO 3615/4885
US-11806346-B2 HTT modulators for treating Huntington's disease HTT, HYPK, ATXN2 OPRK1 1989/4885SMO 3615/4885

“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.