SCHEMBL23217252

SCHEMBL23217252

COCC(=O)N(CC[C@@H]1C[C@H](c2c(OC)ccc(Cl)c2Cl)CN1)CC(=O)O

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 6/20 0.36
HTR2C P28335 6/20 0.36
HTR2B P41595 6/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL29844585 1.00 HTR2A (0.36) HTR2AHTR2CHTR2BSMN1; SMN2
SCHEMBL29845169 0.78 HTR2A (0.35) HTR2AHTR2CHTR2B
SCHEMBL25033671 0.78 HTR2A (0.35) HTR2AHTR2CHTR2B
SCHEMBL23217290 0.78 HTR2A (0.35) HTR2AHTR2CHTR2B
SCHEMBL23227264 0.75 HTR2C (0.49) HTR2AHTR2CHTR2B
Hydrochloric Acid SCHEMBL29845008 0.74 HTR2C (0.50) HTR2AHTR2CHTR2B
Hydrochloric Acid SCHEMBL23217143 0.74 HTR2C (0.50) HTR2AHTR2CHTR2B
SCHEMBL23217276 0.74 HTR2A (0.35) HTR2AHTR2CHTR2BSMN1; SMN2
SCHEMBL23217177 0.71 HTR2A (0.39) HTR2AHTR2CHTR2B
SCHEMBL29844903 0.71 HTR2A (0.39) HTR2AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230049231-A1 ARYL HETEROBICYCLIC COMPOUNDS AS Kv1.3 POTASSIUM SHAKER CHANNEL BLOCKERS D. E. SHAW RESEARCH, LLC 2023-02-16 US disclosed
US-20230049231-A1 ARYL HETEROBICYCLIC COMPOUNDS AS Kv1.3 POTASSIUM SHAKER CHANNEL BLOCKERS D. E. SHAW RESEARCH, LLC 2023-02-16 US disclosed
EP-4041405-A1 ARYL HETEROBICYCLIC COMPOUNDS AS KV1.3 POTASSIUM SHAKER CHANNEL BLOCKERS D.E. Shaw Research, LLC (US) 2022-08-17 EP disclosed
WO-2021071832-A1 ARYL HETEROBICYCLIC COMPOUNDS AS KV1.3 POTASSIUM SHAKER CHANNEL BLOCKERS D.E. SHAW RESEARCH, LLC (US) 2021-04-15 WO disclosed
WO-2021071832-A1 ARYL HETEROBICYCLIC 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-20230049231-A1 ARYL HETEROBICYCLIC COMPOUNDS AS Kv1.3 POTASSIUM SHAKER CHANNEL BLOCKERS KCNB1, KCNJ2, KCNB2 HTR2A 1799/4885HTR2C 1162/4885HTR2B 464/4885

“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.