SCHEMBL9012495

SCHEMBL9012495

OCc1cccc2c1NCCC2

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.49
ADORA2A P29274 1/20 0.44
ADORA1 P30542 1/20 0.44
SLC13A5 Q86YT5 1/20 0.41
CHRNE Q04844 1/20 0.35
REN P00797 1/20 0.33
F2 P00734 1/20 0.33
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
BCL2L1 Q07817 1/20 0.32
BAD Q92934 1/20 0.32
AKT1 P31749 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL30487798 1.00 SRC (0.49) SRCADORA2AADORA1SLC13A5CHRNE
SCHEMBL10152492 0.89 SRC (0.37) SRCADORA2AADORA1SLC13A5CHRNE
SCHEMBL9358469 0.82 SRC (0.49) SRCADORA2AADORA1SLC13A5REN
SCHEMBL31310576 0.82 SRC (0.49) SRCADORA2AADORA1SLC13A5REN
SCHEMBL5542208 0.81 SRC (0.49) SRCADORA2AADORA1SLC13A5REN
SCHEMBL10911692 0.79 SRC (0.43) SRCADORA2AADORA1SLC13A5REN
SCHEMBL21921081 0.78 ADORA2A (0.44) SRCADORA2AADORA1SLC13A5REN
SCHEMBL5542213 0.78 SRC (0.42) SRCADORA2AADORA1SLC13A5REN
SCHEMBL28690726 0.77 IAPP (0.45) SRCADORA2AADORA1SLC13A5F2
SCHEMBL13312019 0.76 SRC (0.37) SRCADORA2AADORA1SLC13A5KDM4E

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-7070083-A None JP disclosed
CN-108137542-B Pyridone dicarboxamides as bromodomain inhibitors 葛兰素史克知识产权第二有限公司 2023-10-27 CN disclosed
CN-111032034-B Spiro compounds and methods of making and using the same H.隆德贝克有限公司 2023-05-02 CN disclosed
EP-3675848-B1 SPIROCYCLE COMPOUNDS AND METHODS OF MAKING AND USING SAME H LUNDBECK AS (DK) 2022-03-23 EP disclosed
US-11161856-B2 Spirocycle compounds and methods of making and using same H. LUNDBECK A/S (DK) 2021-11-02 US disclosed
US-11161856-B2 Spirocycle compounds and methods of making and using same H. LUNDBECK A/S (DK) 2021-11-02 US disclosed
US-20210214375-A1 SPIROCYCLE COMPOUNDS AND METHODS OF MAKING AND USING SAME H. LUNDBECK A/S (DK) 2021-07-15 US disclosed
US-20210214375-A1 SPIROCYCLE COMPOUNDS AND METHODS OF MAKING AND USING SAME H. LUNDBECK A/S (DK) 2021-07-15 US disclosed
US-10927080-B2 Pyridinone dicarboxamide for use as bromodomain inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2021-02-23 US disclosed
US-10927080-B2 Pyridinone dicarboxamide for use as bromodomain inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2021-02-23 US disclosed
WO-2017037116-A1 PYRIDINONE DICARBOXAMIDE FOR USE AS BROMODOMAIN INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-03-09 WO disclosed
WO-2017037116-A1 PYRIDINONE DICARBOXAMIDE FOR USE AS BROMODOMAIN INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-03-09 WO disclosed
US-5523317-A ADMINISTERING IMIDAZOLE DERIVATIVE NIPPON CHEMIPHAR CO., LTD. (JP) 1996-06-04 US disclosed
JP-H0770083-A ANTIHYPERTENSIVE AGENT CONTAINING IMIDAZOLE DERIVATIVE AS ACTIVE INGREDIENT NIPPON CHEMIPHAR CO LTD 1995-03-14 JP disclosed
EP-0633026-A1 Use of imidazole derivative for antihypertensive agent NIPPON CHEMIPHAR CO., LTD. (JP) 1995-01-11 EP disclosed
EP-0239129-B1 HYDROQUINOLINE COMPOUNDS, COMPOSITIONS CONTAINING SAME AND PROCESSES FOR PREPARING SAME OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-09-25 EP disclosed
US-4963566-A ANTIULCER AGENT OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-10-16 US disclosed
US-4729998-A Cyclic carbamates and fungicidal use NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1988-03-08 US disclosed
EP-0239927-A1 Cyclic carbamates NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1987-10-07 EP disclosed
EP-0239129-A2 Hydroquinoline compounds, compositions containing same and processes for preparing same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1987-09-30 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 (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-11161856-B2 Spirocycle compounds and methods of making and using same OPRL1, MGLL, VKORC1L1 SRC 3670/4885ADORA2A 2377/4885ADORA1 3010/4885
US-20210214375-A1 SPIROCYCLE COMPOUNDS AND METHODS OF MAKING AND USING SAME OPRL1, MGLL, OPRK1 SRC 3859/4885ADORA2A 2072/4885ADORA1 3325/4885
US-10927080-B2 Pyridinone dicarboxamide for use as bromodomain inhibitors BRD4, BRD3, BRDT SRC 1840/4885ADORA2A 1820/4885ADORA1 2540/4885

“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.