SCHEMBL1478437

SCHEMBL1478437

COc1ccc2c(c1)C=CCC2

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.42
DRD2 P14416 4/20 0.42
DRD3 P35462 4/20 0.42
DRD1 P21728 3/20 0.42
DRD5 P21918 3/20 0.42
CYP11B2 P19099 1/20 0.41
BCL2 P10415 1/20 0.41
CHRNA7 P36544 1/20 0.40
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
KDM1A O60341 1/20 0.39
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
DRD4 P21917 1/20 0.38
CA2 P00918 1/20 0.38
CA5A P35218 1/20 0.38
METAP1 P53582 1/20 0.38

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
SCHEMBL30134456 1.00 MPO (0.42) MPODRD2DRD3DRD1DRD5
Acetonitrile SCHEMBL28416409 0.92 MPO (0.38) MPODRD2DRD3DRD1DRD5
SCHEMBL1479378 0.85 MAOA (0.50) MPODRD2DRD3DRD1DRD5
SCHEMBL27861257 0.83 CYP1A2 (0.43) MPOCYP11B2BCL2MAOAMAOB
SCHEMBL1616390 0.81 CA2 (0.47) MPODRD2DRD3DRD1DRD5
SCHEMBL326339 0.81 DRD2 (0.41) DRD2DRD3DRD1DRD5CYP11B2
SCHEMBL21860163 0.81 NQO1 (0.42) CA5A
SCHEMBL9115695 0.79 MTNR1A (0.35) CA2CA5A
Acetonitrile SCHEMBL29194900 0.78 MAOA (0.44) MPODRD2DRD3DRD1DRD5
SCHEMBL9113494 0.78 CA2 (0.46) CA2CA5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040087655-A1 6-Substituted indanoyl amino acid conjugates as mimics to the biological activity of coronatine MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN EV (DE) 2004-05-06 US claimed
EP-1351922-A2 6-SUBSTITUTED INDANOYL AMINO ACID CONJUGATES AS MIMICS TO THE BIOLOGICAL ACTIVITY OF CORONATINE Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2003-10-15 EP claimed
WO-2002055480-A2 6-SUBSTITUTED INDANOYL AMINO ACID CONJUGATES AS MIMICS TO THE BIOLOGICAL ACTIVITY OF CORONATINE MAX PLANCK GESELLSCHAFT (DE) 2002-07-18 WO claimed
WO-1995016215-A1 NOVEL SUBSTITUTED NAPHTHOPYRANS PPG INDUSTRIES, INC. (US) 1995-06-15 WO claimed
CN-115925530-A 3,4-dihydronaphthalene-1 (2H) -ketone compound, preparation method and application 滨州医学院 2023-04-07 CN disclosed
US-8680270-B2 Metallo-oxidoreductase inhibitors using metal binding moieties in combination with targeting moieties VIAMET PHARMACEUTICALS, INC. (US) 2014-03-25 US disclosed
EP-2086546-B1 METALLO-OXIDOREDUCTASE INHIBITORS USING METAL BINDING MOIETIES IN COMBINATION WITH TARGETING MOIETIES VIAMET PHARMACEUTICALS INC (US) 2013-07-10 EP disclosed
US-7915295-B2 Viricides; HIV antivirals effective against problematic drug escape mutants; N-[(1S,1aR,7bR)-4,7-difluoro-1,1a,2,7b-tetrahydrocyclopropa[c]chromen-1-yl]-N'-[5-(4-(sulfonamido)phenoxy)-2-pyridinyl]urea MEDIVIR AB (SE) 2011-03-29 US disclosed
US-7915295-B2 Viricides; HIV antivirals effective against problematic drug escape mutants; N-[(1S,1aR,7bR)-4,7-difluoro-1,1a,2,7b-tetrahydrocyclopropa[c]chromen-1-yl]-N'-[5-(4-(sulfonamido)phenoxy)-2-pyridinyl]urea MEDIVIR AB (SE) 2011-03-29 US disclosed
US-7915295-B2 Viricides; HIV antivirals effective against problematic drug escape mutants; N-[(1S,1aR,7bR)-4,7-difluoro-1,1a,2,7b-tetrahydrocyclopropa[c]chromen-1-yl]-N'-[5-(4-(sulfonamido)phenoxy)-2-pyridinyl]urea MEDIVIR AB (SE) 2011-03-29 US disclosed
US-20100317712-A1 Estrogen Agonists/Antagonists For Preventing Breast Cancer CAMERON KIMBERLY O 2010-12-16 US disclosed
US-20100305078-A1 METALLO-OXIDOREDUCTASE INHIBITORS USING METAL BINDING MOIETIES IN COMBINATION WITH TARGETING MOIETIES VIAMET PHARMACEUTICALS, INC. (US) 2010-12-02 US disclosed
WO-1996021656-A1 ESTROGEN AGONISTS/ANTAGONISTS PFIZER, INC. (US) 1996-07-18 WO disclosed
WO-1995016215-A1 NOVEL SUBSTITUTED NAPHTHOPYRANS PPG INDUSTRIES, INC. (US) 1995-06-15 WO disclosed
EP-0260555-B1 BENZO-FUSED CYCLOALKANE AND OXA- AND THIA-, CYCLOALKANE TRANS-1,2-DIAMINE DERIVATIVES THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1992-04-22 EP disclosed
US-5043350-A Analgesics, diuretics DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1991-08-27 US disclosed
US-5010085-A Analgesis and/or diuretics E. I. DU PONT DE NEMOURS AND COMPANY (US) 1991-04-23 US disclosed
US-4929627-A ANALGESICS, DIURETICS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1990-05-29 US disclosed
US-4876269-A ANALGESICS, DIURETICS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1989-10-24 US disclosed
EP-0260555-A1 Benzo-fused cycloalkane and oxa- and thia-, cycloalkane trans-1,2-diamine derivatives THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1988-03-23 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-20100317712-A1 Estrogen Agonists/Antagonists For Preventing Breast Cancer ESR1, GPER1, ESR2 MPO 3748/4885DRD2 2972/4885DRD3 3085/4885
US-20040087655-A1 6-Substituted indanoyl amino acid conjugates as mimics to the biological activity of coronatine CORO1C, CORO1A, AGER MPO 2499/4885DRD2 3606/4885DRD3 4038/4885
US-20100305078-A1 METALLO-OXIDOREDUCTASE INHIBITORS USING METAL BINDING MOIETIES IN COMBINATION WITH TARGETING MOIETIES NQO1, SOD1, MDH2 MPO 94/4885DRD2 4655/4885DRD3 4524/4885

“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.