SCHEMBL5390076

SCHEMBL5390076

CN(C)C1CCc2ccc(O)cc21

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.55
DRD2 P14416 3/20 0.54
DRD4 P21917 3/20 0.54
DRD3 P35462 3/20 0.54
OPRM1 P35372 1/20 0.51
OPRD1 P41143 1/20 0.51
OPRK1 P41145 1/20 0.51
ESR1 P03372 1/20 0.49
ESR2 Q92731 1/20 0.49
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
CYP19A1 P11511 1/20 0.44
CYP11B1 P15538 1/20 0.44
CYP2D6 P10635 1/20 0.43
TSHR P16473 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43

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
SCHEMBL10605800 0.90 CHRNB2 (0.54) ACHEDRD2DRD4DRD3OPRM1
SCHEMBL6833092 0.79 MAOA (0.66) ACHEDRD2DRD4DRD3ESR1
SCHEMBL4188283 0.79 MAOA (0.66) ACHEDRD2DRD4DRD3ESR1
SCHEMBL4202026 0.79 MAOA (0.66) ACHEDRD2DRD4DRD3ESR1
SCHEMBL1576021 0.79 ACHE (0.51) ACHEDRD2DRD4DRD3MAOA
SCHEMBL3645107 0.79 ACHE (0.51) ACHEDRD2DRD4DRD3MAOA
SCHEMBL3855142 0.79 ACHE (0.51) ACHEDRD2DRD4DRD3OPRM1
SCHEMBL22547384 0.79 ACHE (0.51) ACHEDRD2DRD4DRD3OPRM1
SCHEMBL30896364 0.79 ACHE (0.51) ACHEDRD2DRD4DRD3MAOA
SCHEMBL13853486 0.78 DRD2 (0.53) ACHEDRD2DRD4DRD3MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7294739-B1 Basic amine esters or oleic acid and their use as anti-inflammatory or immunobodulatory agents TEVA PHARMACAETICAL INDUSTRIES LTD. (IL) 2007-11-13 US disclosed
US-7294739-B1 Basic amine esters or oleic acid and their use as anti-inflammatory or immunobodulatory agents TEVA PHARMACAETICAL INDUSTRIES LTD. (IL) 2007-11-13 US disclosed
US-7294739-B1 Basic amine esters or oleic acid and their use as anti-inflammatory or immunobodulatory agents TEVA PHARMACAETICAL INDUSTRIES LTD. (IL) 2007-11-13 US disclosed
EP-1535902-B1 Aminoindan derivatives TEVA PHARMA (IL) 2007-11-07 EP disclosed
US-RE39616-E1 Aminoindan derivatives TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 2007-05-08 US disclosed
EP-1535902-A1 Aminoindan derivatives TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 2005-06-01 EP disclosed
EP-0966435-B1 AMINOINDAN DERIVATIVES TEVA PHARMA (IL) 2005-04-06 EP disclosed
EP-0966435-A4 AMINOINDAN DERIVATIVES TEVA PHARMA (IL) 2003-04-16 EP disclosed
US-6538025-B2 Aminoindan derivatives TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 2003-03-25 US disclosed
US-20020188020-A1 Aminoindan derivatives YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM 2002-12-12 US disclosed
EP-0150192-B1 BICYCLIC BENZENOID AMINOALKYLENE ETHERS AND THIOETHERS RORER INTERNATIONAL (OVERSEAS) INC. (US) 1989-12-20 EP disclosed
US-4745110-A ANTIULCER AGENTS, ANTISECRETORY AGENTS RORER PHARMACEUTICAL CORPORATION (US) 1988-05-17 US disclosed
US-4692445-A ANTISECRETORY, ANTIULCEROGENIC AGENTS RORER PHARMACEUTICAL CORPORATION (US) 1987-09-08 US disclosed
US-4647559-A ANTISECRETORY AND ANTIULCER AGENTS WILLIAM H. RORER, INC. (US) 1987-03-03 US disclosed
US-4638001-A ANTISECRETORY, ANTIULCER AGENTS WILLIAM H. RORER, INC. (US) 1987-01-20 US disclosed
US-4588719-A ANTISCERETORY AGENTS, ANTIULCER AGENTS WILLIAM H. RORER, INC. (US) 1986-05-13 US disclosed
EP-0150192-A4 BICYCLIC BENZENOID AMINOALKYLENE ETHERS AND THIOETHERS. RORER INTERNAT OVERSEAS INC (US) 1985-09-16 EP disclosed
EP-0150192-A1 BICYCLIC BENZENOID AMINOALKYLENE ETHERS AND THIOETHERS. RORER INT OVERSEAS (US) 1985-08-07 EP disclosed
US-4529723-A Gastrointestinal disorders; antiulcer agents WILLIAM H. RORER, INC. (US) 1985-07-16 US disclosed
WO-1984004247-A1 BICYCLIC BENZENOID AMINOALKYLENE ETHERS AND THIOETHERS, AND THEIR PHARMACEUTICAL USES RORER INT OVERSEAS (US) 1984-11-08 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 (1 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-20020188020-A1 Aminoindan derivatives SNCA, HTR1A, HTR1D ACHE 58/4885DRD2 18/4885DRD4 8/4885

“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.