SCHEMBL7367812

SCHEMBL7367812

CC(C)NCC(O)COc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 3/20 1.00
ADRB1 P08588 3/20 1.00
CYP2D6 P10635 3/20 1.00
ADRB3 P13945 2/20 1.00
PTGS1 P23219 1/20 0.73
SLC6A2 P23975 1/20 0.73
MAPT P10636 1/20 0.69
MEN1 O00255 1/20 0.67
ALDH1A1 P00352 1/20 0.67
KMT2A Q03164 1/20 0.67

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
SCHEMBL8266174 1.00 ADRB2 (1.00) ADRB2ADRB1CYP2D6ADRB3PTGS1
Hydrochloric Acid SCHEMBL10872169 0.98 ADRB2 (0.97) ADRB2ADRB1CYP2D6ADRB3PTGS1
SCHEMBL11232155 0.94 ADRB2 (0.88) ADRB2ADRB1CYP2D6ADRB3PTGS1
SCHEMBL11667770 0.94 ADRB2 (0.88) ADRB2ADRB1CYP2D6ADRB3PTGS1
Acetamide SCHEMBL5800005 0.91 ADRB2 (0.83) ADRB2ADRB1CYP2D6ADRB3PTGS1
SCHEMBL10743819 0.90 CYP2D6 (0.81) ADRB2ADRB1CYP2D6ADRB3PTGS1
SCHEMBL10814311 0.88 ADRB2 (0.78) ADRB2ADRB1CYP2D6ADRB3PTGS1
SCHEMBL10814305 0.88 ADRB2 (0.78) ADRB2ADRB1CYP2D6ADRB3PTGS1
SCHEMBL10814431 0.88 ADRB2 (0.78) ADRB2ADRB1CYP2D6ADRB3PTGS1
SCHEMBL10746452 0.87 CYP2D6 (0.77) ADRB2ADRB1CYP2D6ADRB3PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105458161-B A kind of powdered mold release agents composition 浙江龙游展宇有机玻璃有限公司 2017-08-15 CN 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-11001701-B2 PVC product and stabilizing agent thereof NAN YA PLASTICS CORPORATION (TW) 2021-05-11 US disclosed
US-20200261442-A1 TARGETED DRUG RESCUE WITH NOVEL COMPOSITIONS, COMBINATIONS, AND METHODS THEREOF VEPACHEDU SREENIVASARAO (US) 2020-08-20 US disclosed
US-20200148858-A1 PVC PRODUCT AND STABILIZING AGENT THEREOF NAN YA PLASTICS CORPORATION (TW) 2020-05-14 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
US-7229782-B1 Antibodies specific to multiple beta blockers and methods for their use LABONE, INC. (US) 2007-06-12 US disclosed
US-7229782-B1 Antibodies specific to multiple beta blockers and methods for their use LABONE, INC. (US) 2007-06-12 US disclosed
US-6239313-B1 FROM AN INCLUSION COMPLEX OF EPOXIDE WITH CYCLODEXTRIN AND NUCLEOPHILIC COMPOUND COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2001-05-29 US disclosed
CN-1087630-A Dihydrogen pyridine derivative and preparation method thereof FUJISAWA PHARMACEUTICAL CO (JP) 1994-06-08 CN disclosed
WO-1994002463-A1 ANTIHYPERTENSIVE 1,4-DIHYDROPYRIDINE DERIVATIVES AND PROCESS FOR THEIR PREPARATION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-02-03 WO disclosed
EP-0193227-B1 PROCESS FOR THE PREPARATION OF ARYLGLYCIDYL ETHERS AND 3-SUBSTITUTED 1-ALKYLAMINO-2-PROPANOLS GIST-BROCADES N.V. (NL) 1990-04-11 EP disclosed
EP-0193227-A1 Process for the preparation of arylglycidyl ethers and 3-substituted 1-alkylamino-2-propanols GIST-BROCADES N.V. (NL) 1986-09-03 EP disclosed
EP-0013258-B1 PROPENYL-SUBSTITUTED PHENOLGLYCIDYL ETHERS, PROCESS FOR THEIR PREPARATION AND THEIR USE CIBA-GEIGY AG (CH) 1982-07-07 EP disclosed
US-3742023-A NOVEL 1-SUBSTITUTED PHENOXY-2-HYDROXY-3-ISOPROPYLAMINO-PROPANES BOEHRINGER SOHN INGELHEIM 1973-06-26 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 ADRB2 61/4885ADRB1 129/4885CYP2D6 9/4885
US-20200069674-A1 TARGETED DRUG RESCUE WITH NOVEL COMPOSITIONS, COMBINATIONS, AND METHODS THEREOF HTR2A, HTR2C, CYP3A43 ADRB2 61/4885ADRB1 129/4885CYP2D6 9/4885
US-20200261442-A1 TARGETED DRUG RESCUE WITH NOVEL COMPOSITIONS, COMBINATIONS, AND METHODS THEREOF HTR2C, HTR2A, HTR3A ADRB2 89/4885ADRB1 208/4885CYP2D6 17/4885

“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.