SCHEMBL30001867

SCHEMBL30001867

COc1cccc(CCc2ccccc2OCC(O)CN(C)C)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 2/20 1.00
▸ HTR2A P28223 2/20 1.00
▸ ABCB1 P08183 11/20 0.62
▸ HTR1A P08908 3/20 0.62
▸ DRD2 P14416 3/20 0.62

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
SCHEMBL19900842 1.00 CYP2D6 (1.00) CYP2D6HTR2AABCB1HTR1ADRD2
SCHEMBL30416731 1.00 CYP2D6 (1.00) CYP2D6HTR2AABCB1HTR1ADRD2
SCHEMBL19900950 1.00 CYP2D6 (1.00) CYP2D6HTR2AABCB1HTR1ADRD2
SCHEMBL19350963 1.00 CYP2D6 (1.00) CYP2D6HTR2AABCB1HTR1ADRD2
Hydrochloric Acid SCHEMBL10802067 0.99 CYP2D6 (0.98) CYP2D6HTR2AABCB1HTR1ADRD2
Hydrochloric Acid SCHEMBL30416719 0.99 CYP2D6 (0.98) CYP2D6HTR2AABCB1HTR1ADRD2
Hydrochloric Acid SCHEMBL30387812 0.99 CYP2D6 (0.98) CYP2D6HTR2AABCB1HTR1ADRD2
SCHEMBL8704285 0.93 CYP2D6 (0.88) CYP2D6HTR2AABCB1HTR1ADRD2
Phosphoric Acid SCHEMBL20552775 0.93 CYP2D6 (0.86) CYP2D6HTR2AABCB1HTR1ADRD2
Hydrochloric Acid SCHEMBL8707201 0.92 CYP2D6 (0.86) CYP2D6HTR2AABCB1HTR1ADRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3503879-B1 COMPOSITION COMPRISING (A) A DUAL AGENT ACTING AS A 5-HT2A RECEPTOR ANTAGONIST AND CYP2D6 INHIBITOR AND (B) AN NMDA RECEPTOR ANTAGONIST FOR USE IN THE TREATMENT OF DISEASES INVOLVING GLUCOSE Exciva GmbH (DE) 2026-04-22 — — EP disclosed
CN-110831584-B Targeted drug rescue with novel compositions, combinations and methods thereof 埃克塞瓦有限责任公司 2023-03-10 — — CN disclosed
US-11478467-B2 Targeted drug rescue with novel compositions, combinations, and methods thereof Exciva GmbH (DE) 2022-10-25 — — 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 (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-11478467-B2 Targeted drug rescue with novel compositions, combinations, and methods thereof HTR2A, HTR2C, CYP3A43 CYP2D6 9/4885HTR2A 1/4885ABCB1 50/4885

“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.

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