SCHEMBL7946116

SCHEMBL7946116

Cc1ccc(OCC(O)CNC(C)C)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.77
SLC6A2 P23975 1/20 0.77
ADRB2 P07550 6/20 0.73
ADRB1 P08588 5/20 0.73
CYP2D6 P10635 2/20 0.73
ADRB3 P13945 2/20 0.73
MAPT P10636 1/20 0.72
LMNA P02545 2/20 0.68
TDP1 Q9NUW8 2/20 0.68
CNR1 P21554 1/20 0.68
ADRA1D P25100 1/20 0.68
ADRA1A P35348 1/20 0.68
ADRA1B P35368 1/20 0.68
KDM4E B2RXH2 1/20 0.68
CYP1A2 P05177 1/20 0.68
GLA P06280 1/20 0.68
CYP3A4 P08684 1/20 0.68
TSHR P16473 1/20 0.68
NFKB1 P19838 1/20 0.68
THPO P40225 1/20 0.68

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
SCHEMBL22639751 1.00 PTGS1 (0.77) PTGS1SLC6A2ADRB2ADRB1CYP2D6
Prenalterol SCHEMBL10816429 0.87 PTGS1 (1.00) PTGS1SLC6A2ADRB2ADRB1CYP2D6
Prenalterol SCHEMBL10788435 0.87 PTGS1 (1.00) PTGS1SLC6A2ADRB2ADRB1CYP2D6
Prenalterol SCHEMBL249753 0.87 PTGS1 (1.00) PTGS1SLC6A2ADRB2ADRB1CYP2D6
SCHEMBL22640163 0.86 POLB (0.59) PTGS1SLC6A2ADRB2ADRB1CYP2D6
SCHEMBL22639709 0.86 POLB (0.59) PTGS1SLC6A2ADRB2ADRB1CYP2D6
Prenalterol SCHEMBL121857 0.85 PTGS1 (0.97) PTGS1SLC6A2ADRB2ADRB1CYP2D6
SCHEMBL5390387 0.85 PTGS1 (0.74) PTGS1SLC6A2ADRB2ADRB1CYP2D6
SCHEMBL9008475 0.85 PTGS1 (0.74) PTGS1SLC6A2ADRB2ADRB1CYP2D6
SCHEMBL7953135 0.85 PTGS1 (0.74) PTGS1SLC6A2ADRB2ADRB1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111110854-A Composition comprising a histamine release-promoting substance and an inhibitory compound 黄泳华 2020-05-08 CN claimed
EP-0094498-A2 Antiatherosclerotic 1-piperazine derivatives AMERICAN CYANAMID COMPANY (US) 1983-11-23 EP 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-10828281-B2 Non-hydrophobic compounds for use in treating metastasis and/or cartilage defect Friedrich-Alexander-Universität Erlangen-Nürnberg (DE) 2020-11-10 US disclosed
US-20200261442-A1 TARGETED DRUG RESCUE WITH NOVEL COMPOSITIONS, COMBINATIONS, AND METHODS THEREOF VEPACHEDU SREENIVASARAO (US) 2020-08-20 US disclosed
CN-111110854-A Composition comprising a histamine release-promoting substance and an inhibitory compound 黄泳华 2020-05-08 CN disclosed
US-20200069674-A1 TARGETED DRUG RESCUE WITH NOVEL COMPOSITIONS, COMBINATIONS, AND METHODS THEREOF Exciva GmbH (DE) 2020-03-05 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
EP-0552379-B1 DIHYDROPYRIDINE DERIVATIVES, AND PROCESS FOR THEIR PREPARATION FUJISAWA PHARMACEUTICAL CO (JP) 1996-10-30 EP disclosed
EP-0086403-A2 2-Oxazolidine-ones MERCK PATENT GmbH (DE) 1983-08-24 EP 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 (4 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 PTGS1 1568/4885SLC6A2 42/4885ADRB2 61/4885
US-20200069674-A1 TARGETED DRUG RESCUE WITH NOVEL COMPOSITIONS, COMBINATIONS, AND METHODS THEREOF HTR2A, HTR2C, CYP3A43 PTGS1 1568/4885SLC6A2 42/4885ADRB2 61/4885
US-10828281-B2 Non-hydrophobic compounds for use in treating metastasis and/or cartilage defect VIM, MATR3, TP53 PTGS1 758/4885SLC6A2 2019/4885ADRB2 4055/4885
US-20200261442-A1 TARGETED DRUG RESCUE WITH NOVEL COMPOSITIONS, COMBINATIONS, AND METHODS THEREOF HTR2C, HTR2A, HTR3A PTGS1 1519/4885SLC6A2 39/4885ADRB2 89/4885

“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.