SCHEMBL13503183

SCHEMBL13503183

CC(C)N(C)CC1CCNC1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A1 P30531 2/20 0.38
GABRA5 P31644 2/20 0.38
GABRB2 P47870 2/20 0.38
SLC6A12 P48065 2/20 0.38
SLC6A11 P48066 2/20 0.38
SLC6A13 Q9NSD5 2/20 0.38
GABRA1 P14867 1/20 0.38
GABRR1 P24046 1/20 0.38
GABRA4 P48169 1/20 0.38
USP30 Q70CQ3 1/20 0.38
HRH4 Q9H3N8 3/20 0.32
HRH3 Q9Y5N1 3/20 0.32
SLC6A2 P23975 4/20 0.31
SLC6A4 P31645 4/20 0.31
KCNH2 Q12809 2/20 0.31
SLC6A3 Q01959 2/20 0.30
CYP2D6 P10635 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
SCHEMBL26723732 0.89 CPN1 (0.38) USP30HRH4HRH3SLC6A2SLC6A4
SCHEMBL3439895 0.88 HTR2C (0.33) SLC6A2SLC6A4
SCHEMBL13503244 0.83 USP30 (0.35) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL13503177 0.83 CYP1A2 (0.38) SLC6A2SLC6A4KCNH2SLC6A3CYP2D6
SCHEMBL19123358 0.82 SLC6A1 (0.38) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL13503175 0.81 SLC6A2 (0.32) SLC6A2SLC6A4KCNH2SLC6A3CYP2D6
SCHEMBL728213 0.79
SCHEMBL10059951 0.79
SCHEMBL10060804 0.79
SCHEMBL12339289 0.77 SLC6A1 (0.36) SLC6A1GABRA5GABRB2SLC6A12SLC6A11

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 7 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
CN-116997548-A HTT modulators for the treatment of huntington's disease CHDI基金会股份有限公司 2023-11-03 CN disclosed
US-20220409615-A1 HTT MODULATORS FOR TREATING HUNTINGTON'S DISEASE CHDI FOUNDATION, INC. 2022-12-29 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
US-7667052-B2 Bioactive substance EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-02-23 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 SLC6A1 382/4885GABRA5 931/4885GABRB2 452/4885
US-11806346-B2 HTT modulators for treating Huntington's disease HTT, HYPK, ATXN2 SLC6A1 382/4885GABRA5 931/4885GABRB2 452/4885

“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.