SCHEMBL1840824

SCHEMBL1840824

CCN(C(=O)O)C1CCNC1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 19/20 0.52
SLC6A4 P31645 19/20 0.52
SLC6A3 Q01959 14/20 0.52
KCNH2 Q12809 3/20 0.52
CYP2D6 P10635 4/20 0.45
CHRM3 P20309 1/20 0.45
MBTPS1 Q14703 1/20 0.44

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
SCHEMBL15667928 1.00 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL1468566 0.89 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL14632098 0.89 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL967296 0.89 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL968086 0.89 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL1290745 0.88 SLC6A4 (0.42) SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL14224174 0.87 SLC6A4 (0.51) SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL1060281 0.87 SLC6A4 (0.51) SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL1877085 0.87 SLC6A4 (0.51) SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL27957684 0.85 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6

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-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
EP-2925737-A1 TRICYCLIC COMPOUNDS FOR USE IN THE TREATMENT AND/OR CONTROL OF OBESITY Zafgen, Inc. (US) 2015-10-07 EP disclosed
WO-2014071369-A1 TRICYCLIC COMPOUNDS FOR USE IN THE TREATMENT AND/OR CONTROL OF OBESITY ZAFGEN, INC. (US) 2014-05-08 WO disclosed
US-20110201599-A1 CDK Modulators EXELIXIS, INC. (US) 2011-08-18 US disclosed
EP-2320895-A2 CDK MODULATORS Exelixis, Inc. (US) 2011-05-18 EP disclosed
WO-2010003133-A2 CDK MODULATORS EXELIXIS INC. (US) 2010-01-07 WO disclosed
EP-1945606-A1 ALKYLCARBAMOYL NAPHTHALENYLOXY- OCTENOYLHYDROXYAMIDE DERIVATIVES HAVING INHIBITORY ACTIVITY AGAINST HISTONE DEACETYLASE AND PREPARATION THEREOF Korea Research Institute of Chemical Technology (KR) 2008-07-23 EP disclosed
WO-2007052938-A1 ALKYLCARBAMOYL NAPHTHALENYLOXY- OCTENOYLHYDROXYAMIDE DERIVATIVES HAVING INHIBITORY ACTIVITY AGAINST HISTONE DEACETYLASE AND PREPARATION THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2007-05-10 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-20220409615-A1 HTT MODULATORS FOR TREATING HUNTINGTON'S DISEASE HTT, HYPK, ATXN2 SLC6A2 119/4885SLC6A4 40/4885SLC6A3 14/4885
US-11806346-B2 HTT modulators for treating Huntington's disease HTT, HYPK, ATXN2 SLC6A2 119/4885SLC6A4 40/4885SLC6A3 14/4885
US-20110201599-A1 CDK Modulators CDK3, CDK1, CDKL1 SLC6A2 4321/4885SLC6A4 4238/4885SLC6A3 3532/4885

“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.