SCHEMBL21979906

SCHEMBL21979906

CN1CCC(c2ccc3cc(-c4ccc5nn(C)cc5c4)ccc3n2)CC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.43
KCNH2 Q12809 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
GRM5 P41594 5/20 0.40
GRM1 Q13255 5/20 0.40
DYRK1A Q13627 2/20 0.39
GSK3B P49841 1/20 0.39
BACE1 P56817 1/20 0.39
MAP4K3 Q8IVH8 1/20 0.39
MAP4K1 Q92918 1/20 0.39
MAT2A P31153 3/20 0.38
CHRM1 P11229 1/20 0.37
FLT3 P36888 1/20 0.37
SYK P43405 1/20 0.37
AURKB Q96GD4 1/20 0.37
DRD2 P14416 2/20 0.37

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
Hydrochloric Acid SCHEMBL21980096 0.99 HTT (0.43) HTTKCNH2HRH3GRM5GRM1
SCHEMBL21980140 0.88 HTT (0.56) HTTKCNH2HRH3GRM5GRM1
Hydrochloric Acid SCHEMBL21980201 0.87 HTT (0.55) HTTKCNH2HRH3GRM5GRM1
SCHEMBL21979975 0.86 TLR8 (0.47) HTTKCNH2HRH3GRM5GRM1
Hydrochloric Acid SCHEMBL28388238 0.85 TLR8 (0.47) HTTKCNH2HRH3GRM5GRM1
SCHEMBL26977191 0.83 GRM5 (0.40) HTTGRM5GRM1DYRK1AMAT2A
SCHEMBL23290232 0.80 PIK3CD (0.42) HTTCHRM1DRD2
SCHEMBL31732193 0.78 CHRM1 (0.41) HTTCHRM1DRD2
SCHEMBL15174695 0.77 HTT (0.52) HTTGRM5GRM1MAT2ACHRM1
SCHEMBL24165432 0.76 QDPR (0.36) HTTKCNH2HRH3GRM5GRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3634953-B1 COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE PTC THERAPEUTICS INC (US) 2024-01-03 EP claimed
EP-4151627-A1 COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE PTC Therapeutics, Inc. (US) 2023-03-22 EP claimed
US-11407753-B2 Compounds for treating Huntington's disease PTC THERAPEUTICS, INC. (US) 2022-08-09 US claimed
US-20200165256-A1 COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE PTC THERAPEUTICS, INC. 2020-05-28 US claimed
CN-111065626-A Compounds for the treatment of huntington's chorea PTC医疗公司 2020-04-24 CN claimed
EP-3634953-B1 COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE PTC THERAPEUTICS INC (US) 2024-01-03 EP disclosed
EP-4151627-A1 COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE PTC Therapeutics, Inc. (US) 2023-03-22 EP disclosed
US-11407753-B2 Compounds for treating Huntington's disease PTC THERAPEUTICS, INC. (US) 2022-08-09 US disclosed
US-20200165256-A1 COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE PTC THERAPEUTICS, INC. 2020-05-28 US disclosed
US-20200165256-A1 COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE PTC THERAPEUTICS, INC. 2020-05-28 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-20200165256-A1 COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE HTT, HYPK, FH HTT 1/4885KCNH2 2632/4885HRH3 1235/4885
US-11407753-B2 Compounds for treating Huntington's disease HTT, HYPK, FH HTT 1/4885KCNH2 2632/4885HRH3 1235/4885

“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.