SCHEMBL11247586

SCHEMBL11247586

CC(C)NCC(O)COc1ccc(OCCOCC2CCC2)cc1

nearest known ligand 0.79

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ADRB1 P08588 2/20 0.75
▸ LMNA P02545 2/20 0.75
▸ MEN1 O00255 2/20 0.75
▸ KMT2A Q03164 2/20 0.75
▸ CYP2D6 P10635 1/20 0.75
▸ CYP1A2 P05177 1/20 0.75
▸ CYP2C9 P11712 1/20 0.75
▸ ADRB2 P07550 1/20 0.73
▸ GAA P10253 1/20 0.73
▸ BLM P54132 1/20 0.73
▸ TMEM97 Q5BJF2 1/20 0.73
▸ SIGMAR1 Q99720 1/20 0.73
▸ MAPT P10636 1/20 0.59
▸ PTGS1 P23219 1/20 0.58
▸ SLC6A2 P23975 1/20 0.58

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
Cicloprolol SCHEMBL9681296 0.96 ADRB1 (0.80) ADRB1LMNAMEN1KMT2ACYP2D6
Cicloprolol SCHEMBL9680771 0.96 ADRB1 (0.80) ADRB1LMNAMEN1KMT2ACYP2D6
Cicloprolol SCHEMBL634972 0.96 ADRB1 (0.80) ADRB1LMNAMEN1KMT2ACYP2D6
Cicloprolol SCHEMBL613271 0.95 LMNA (0.81) ADRB1LMNAMEN1KMT2ACYP2D6
Cicloprolol SCHEMBL22734881 0.95 LMNA (0.81) ADRB1LMNAMEN1KMT2ACYP2D6
Cicloprolol SCHEMBL613272 0.94 ADRB1 (0.77) ADRB1LMNAMEN1KMT2ACYP2D6
SCHEMBL11241308 0.90 ADRB1 (0.93) ADRB1LMNAMEN1KMT2ACYP2D6
SCHEMBL11242598 0.86 ADRB1 (0.91) ADRB1LMNAMEN1KMT2ACYP2D6
Betaxolol SCHEMBL23531 0.86 ADRB1 (1.00) ADRB1LMNAMEN1KMT2ACYP2D6
Betaxolol SCHEMBL6512495 0.86 ADRB1 (1.00) ADRB1LMNAMEN1KMT2ACYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4311708-A ADRENERGIC BLOCKING AGENTS SYNTHELABO (FR) 1982-01-19 — — US claimed
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
US-20200069674-A1 TARGETED DRUG RESCUE WITH NOVEL COMPOSITIONS, COMBINATIONS, AND METHODS THEREOF Exciva GmbH (DE) 2020-03-05 — — US disclosed
US-4311708-A ADRENERGIC BLOCKING AGENTS SYNTHELABO (FR) 1982-01-19 — — US disclosed
US-4252984-A 1-/P-/2-/CYCLOPROPYLMETHOXY/ETHYL/PHENOXY/-3-ISOPROPYLAMINO-2 -PROPANOL SYNTHELABO (FR) 1981-02-24 — — 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 (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 129/4885LMNA 1421/4885MEN1 3248/4885
US-20200069674-A1 TARGETED DRUG RESCUE WITH NOVEL COMPOSITIONS, COMBINATIONS, AND METHODS THEREOF HTR2A, HTR2C, CYP3A43 ADRB1 129/4885LMNA 1421/4885MEN1 3248/4885
US-20200261442-A1 TARGETED DRUG RESCUE WITH NOVEL COMPOSITIONS, COMBINATIONS, AND METHODS THEREOF HTR2C, HTR2A, HTR3A ADRB1 208/4885LMNA 2085/4885MEN1 3011/4885

“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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