SCHEMBL23215968

SCHEMBL23215968

C=CCOc1ccc(Cl)c(Cl)c1C(O)C1CCCNCC1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 7/20 0.41
HTR2A P28223 5/20 0.41
SLC6A4 P31645 12/20 0.36
SLC6A2 P23975 11/20 0.36
SLC6A3 Q01959 11/20 0.36
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
HTR2B P41595 3/20 0.34
KCNH2 Q12809 1/20 0.34

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
SCHEMBL29745423 1.00 HTR2C (0.41) HTR2CHTR2ASLC6A4SLC6A2SLC6A3
SCHEMBL23216186 0.76 SLC6A2 (0.44) HTR2CHTR2ASLC6A4SLC6A2SLC6A3
SCHEMBL29745331 0.76 SLC6A2 (0.44) HTR2CHTR2ASLC6A4SLC6A2SLC6A3
SCHEMBL23216744 0.74 ALDH1A1 (0.43) HTR2CHTR2AADRA2AADRA2BADRA2C
SCHEMBL23216837 0.73 MEN1 (0.37) HTR2CHTR2AADRA2AADRA2BADRA2C
SCHEMBL23215279 0.73 HTR2C (0.41) HTR2CHTR2ASLC6A4SLC6A2SLC6A3
SCHEMBL29782207 0.73 HTR2C (0.41) HTR2CHTR2ASLC6A4SLC6A2SLC6A3
SCHEMBL23215278 0.73 HTR2C (0.41) HTR2CHTR2ASLC6A4SLC6A2SLC6A3
SCHEMBL23215274 0.73 HTR2C (0.41) HTR2CHTR2ASLC6A4SLC6A2SLC6A3
SCHEMBL17962714 0.73 HTR2C (0.51) HTR2CHTR2ASLC6A4ADRA2AADRA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230023559-A1 ARYLMETHYLENE HETEROCYCLIC COMPOUNDS AS KV1.3 POTASSIUM SHAKER CHANNEL BLOCKERS D. E. SHAW RESEARCH, LLC (US) 2023-01-26 US disclosed
US-20230023559-A1 ARYLMETHYLENE HETEROCYCLIC COMPOUNDS AS KV1.3 POTASSIUM SHAKER CHANNEL BLOCKERS D. E. SHAW RESEARCH, LLC (US) 2023-01-26 US disclosed
WO-2021071806-A1 ARYLMETHYLENE HETEROCYCLIC COMPOUNDS AS KV1.3 POTASSIUM SHAKER CHANNEL BLOCKERS D. E. SHAW RESEARCH, LLC (US) 2021-04-15 WO disclosed
WO-2021071806-A1 ARYLMETHYLENE HETEROCYCLIC COMPOUNDS AS KV1.3 POTASSIUM SHAKER CHANNEL BLOCKERS D. E. SHAW RESEARCH, LLC (US) 2021-04-15 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 (1 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-20230023559-A1 ARYLMETHYLENE HETEROCYCLIC COMPOUNDS AS KV1.3 POTASSIUM SHAKER CHANNEL BLOCKERS KCNJ2, KCNA3, KCNH3 HTR2C 920/4885HTR2A 1620/4885SLC6A4 1866/4885

“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.