SCHEMBL5808030

SCHEMBL5808030

C1CC(N[C@H]2CCNC2)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HSD17B10 Q99714 1/20 0.46
KDM1A O60341 5/20 0.42
MAOB P27338 3/20 0.42
MAOA P21397 1/20 0.42
EPHX1 P07099 2/20 0.39
GNAI3 P08754 1/20 0.33
GNAO1 P09471 1/20 0.33
GNAI1 P63096 1/20 0.33
ADH1B P00325 1/20 0.33
ADH1C P00326 1/20 0.33
ADH1A P07327 1/20 0.33
ADH7 P40394 1/20 0.33
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
CISD1 Q9NZ45 1/20 0.32
HTR1B P28222 1/20 0.32
HTR2A P28223 1/20 0.32
DPP4 P27487 1/20 0.32

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
SCHEMBL21425605 1.00 KCNH2 (0.46) KCNH2ALDH1A1HSD17B10KDM1AMAOB
Hydrochloric Acid SCHEMBL31209185 0.98 KCNH2 (0.45) KCNH2ALDH1A1HSD17B10KDM1AMAOB
SCHEMBL2878079 0.95 ALDH1A1 (0.52) KCNH2ALDH1A1HSD17B10KDM1AMAOB
SCHEMBL2877988 0.95 ALDH1A1 (0.52) KCNH2ALDH1A1HSD17B10KDM1AMAOB
SCHEMBL2877987 0.95 ALDH1A1 (0.52) KCNH2ALDH1A1HSD17B10KDM1AMAOB
Hydrochloric Acid SCHEMBL2868836 0.93 ALDH1A1 (0.50) KCNH2ALDH1A1HSD17B10KDM1AMAOB
Hydrochloric Acid SCHEMBL2875182 0.93 ALDH1A1 (0.50) KCNH2ALDH1A1HSD17B10KDM1AMAOB
Hydrochloric Acid SCHEMBL2868834 0.93 ALDH1A1 (0.50) KCNH2ALDH1A1HSD17B10KDM1AMAOB
SCHEMBL5827271 0.93 ALDH1A1 (0.57) KCNH2ALDH1A1HSD17B10KDM1AMAOB
SCHEMBL3813652 0.93 ALDH1A1 (0.57) KCNH2ALDH1A1HSD17B10KDM1AMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230331725-A1 COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE PTC THERAPEUTICS, INC. 2023-10-19 US disclosed
US-20230331725-A1 COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE PTC THERAPEUTICS, INC. 2023-10-19 US disclosed
US-11780839-B2 Compounds for treating Huntington's disease PTC THERAPEUTICS, INC. (US) 2023-10-10 US disclosed
US-11780839-B2 Compounds for treating Huntington's disease PTC THERAPEUTICS, INC. (US) 2023-10-10 US disclosed
WO-2023034836-A1 COMPOUNDS AND METHODS FOR MODULATING SPLICING REMIX THERAPEUTICS INC. (US) 2023-03-09 WO disclosed
US-20210024525-A1 COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE PTC THERAPEUTICS, INC. 2021-01-28 US disclosed
WO-2019191229-A1 COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE PTC THERAPEUTICS, INC. (US) 2019-10-03 WO disclosed
EP-1638934-A1 3-AMINOPYRROLIDINES AS INHIBITORS OF MONOAMINE UPTAKE ELI LILLY AND COMPANY (US) 2006-03-29 EP disclosed
WO-2005000811-A1 3-AMINOPYRROLIDINES AS INHIBITORS OF MONOAMINE UPTAKE ELI LILLY AND COMPANY (US) 2005-01-06 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 (3 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-20210024525-A1 COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE HTT, HYPK, HDAC6 KCNH2 2785/4885ALDH1A1 1492/4885HSD17B10 152/4885
US-20230331725-A1 COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE HTT, HYPK, HDAC6 KCNH2 2785/4885ALDH1A1 1492/4885HSD17B10 152/4885
US-11780839-B2 Compounds for treating Huntington's disease HTT, HYPK, HDAC6 KCNH2 2785/4885ALDH1A1 1492/4885HSD17B10 152/4885

“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.