SCHEMBL20552995

SCHEMBL20552995

Cc1cc(C)c(OCC(O)CNC(C)C)cc1C

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ADRB1 P08588 7/20 0.66
▸ ADRB2 P07550 6/20 0.66
▸ ADRB3 P13945 3/20 0.66
▸ CYP2D6 P10635 3/20 0.55
▸ CYP1A2 P05177 2/20 0.55
▸ ALDH1A1 P00352 1/20 0.54
▸ HTR1B P28222 1/20 0.54
▸ HTR2A P28223 1/20 0.54
▸ HTR2C P28335 1/20 0.54
▸ SLC6A4 P31645 1/20 0.54
▸ SCN1A P35498 1/20 0.54
▸ HTR2B P41595 1/20 0.54
▸ HTR6 P50406 1/20 0.54
▸ SLC10A1 Q14973 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ SCN2A Q99250 1/20 0.54
▸ SIGMAR1 Q99720 1/20 0.54
▸ SCN3A Q9NY46 1/20 0.54
▸ NR2E1 Q9Y466 1/20 0.54

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
Hydrochloric Acid SCHEMBL11175067 0.82 ADRB1 (0.59) ADRB1ADRB2ADRB3ALDH1A1HTR2A
SCHEMBL21531493 0.82 ADRB1 (0.59) ADRB1ADRB2ADRB3
SCHEMBL24859311 0.81 ADRB1 (0.58) ADRB1ADRB2ADRB3CYP2D6
SCHEMBL11854665 0.79 ADRB2 (1.00) ADRB1ADRB2ADRB3CYP2D6CYP1A2
SCHEMBL30416282 0.78 ADRB1 (0.68) ADRB1ADRB2ADRB3CYP2D6CYP1A2
SCHEMBL11861389 0.78 ADRB1 (0.63) ADRB1ADRB2ADRB3CYP2D6CYP1A2
SCHEMBL11868102 0.78 ADRB2 (0.82) ADRB1ADRB2ADRB3CYP2D6CYP1A2
SCHEMBL20553040 0.77 GLA (0.64) ADRB1ADRB2ADRB3CYP2D6
Hydrochloric Acid SCHEMBL11865272 0.77 ADRB1 (0.62) ADRB1ADRB2ADRB3CYP2D6CYP1A2
Hydrochloric Acid SCHEMBL11874444 0.77 ADRB2 (0.80) ADRB1ADRB2ADRB3CYP2D6CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20200261442-A1 TARGETED DRUG RESCUE WITH NOVEL COMPOSITIONS, COMBINATIONS, AND METHODS THEREOF VEPACHEDU SREENIVASARAO (US) 2020-08-20 — — US disclosed
EP-3618819-A1 TARGETED DRUG RESCUE WITH NOVEL COMPOSITIONS, COMBINATIONS, AND METHODS THEREOF Exciva GmbH (DE) 2020-03-11 — — EP disclosed
US-20200069674-A1 TARGETED DRUG RESCUE WITH NOVEL COMPOSITIONS, COMBINATIONS, AND METHODS THEREOF Exciva GmbH (DE) 2020-03-05 — — US disclosed
WO-2018204713-A1 TARGETED DRUG RESCUE WITH NOVEL COMPOSITIONS, COMBINATIONS, AND METHODS THEREOF EXCIVA UG (HAFTUNGSBESCHRÄNKT) (DE) 2018-11-08 — — 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-11478467-B2 Targeted drug rescue with novel compositions, combinations, and methods thereof HTR2A, HTR2C, CYP3A43 ADRB1 129/4885ADRB2 61/4885ADRB3 79/4885
US-20200069674-A1 TARGETED DRUG RESCUE WITH NOVEL COMPOSITIONS, COMBINATIONS, AND METHODS THEREOF HTR2A, HTR2C, CYP3A43 ADRB1 129/4885ADRB2 61/4885ADRB3 79/4885
US-20200261442-A1 TARGETED DRUG RESCUE WITH NOVEL COMPOSITIONS, COMBINATIONS, AND METHODS THEREOF HTR2C, HTR2A, HTR3A ADRB1 208/4885ADRB2 89/4885ADRB3 137/4885

“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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