SCHEMBL24817638

SCHEMBL24817638

CN[C@@H]1CCN(c2cnc(C(=O)OC)cn2)C1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SMO Q99835 2/20 0.49
KCNH2 Q12809 1/20 0.47
MCHR1 Q99705 1/20 0.47
HRH4 Q9H3N8 10/20 0.44
ACKR3 P25106 1/20 0.43

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
SCHEMBL30181756 1.00 SMO (0.49) SMOKCNH2MCHR1HRH4ACKR3
SCHEMBL24033331 0.89 OPRK1 (0.50) SMO
SCHEMBL29134381 0.88 KCNH2 (0.52) KCNH2MCHR1HRH4ACKR3
SCHEMBL29134379 0.88 KCNH2 (0.52) KCNH2MCHR1HRH4ACKR3
Lithium SCHEMBL30665070 0.87 KCNH2 (0.51) KCNH2MCHR1HRH4ACKR3
SCHEMBL29134617 0.87 KCNH2 (0.51) KCNH2MCHR1HRH4ACKR3
SCHEMBL29134615 0.87 KCNH2 (0.51) KCNH2MCHR1HRH4ACKR3
SCHEMBL30390753 0.86 HRH3 (0.49) KCNH2MCHR1HRH4ACKR3
Lithium Ion SCHEMBL30196838 0.85 KCNH2 (0.47) KCNH2MCHR1HRH4ACKR3
SCHEMBL24033384 0.84 SMO (0.48) SMO

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 3 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

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 SMO 3615/4885KCNH2 3605/4885MCHR1 593/4885
US-11806346-B2 HTT modulators for treating Huntington's disease HTT, HYPK, ATXN2 SMO 3615/4885KCNH2 3605/4885MCHR1 593/4885

“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.