SCHEMBL6015848

SCHEMBL6015848

CC(=O)OCC1CCn2c(cc3ccccc32)C1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 12/20 0.44
DRD2 P14416 2/20 0.41
DRD4 P21917 2/20 0.41
HTR2A P28223 3/20 0.40
HTR2C P28335 3/20 0.40
PRKCE Q02156 2/20 0.39
MYLK Q15746 2/20 0.39

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
SCHEMBL8319222 1.00 SIGMAR1 (0.44) SIGMAR1DRD2DRD4HTR2AHTR2C
SCHEMBL8655046 0.93 SIGMAR1 (0.41) SIGMAR1DRD2DRD4HTR2AHTR2C
SCHEMBL8657832 0.89 SIGMAR1 (0.45) SIGMAR1DRD2DRD4HTR2AHTR2C
SCHEMBL8656217 0.88 SIGMAR1 (0.42) SIGMAR1HTR2AHTR2CPRKCEMYLK
SCHEMBL8655471 0.88 DRD2 (0.38) SIGMAR1DRD2DRD4HTR2AHTR2C
SCHEMBL8657684 0.84 HTR2A (0.46) DRD2DRD4HTR2AHTR2C
SCHEMBL8448934 0.81 HTR2A (0.40) SIGMAR1HTR2AHTR2CPRKCEMYLK
SCHEMBL1999141 0.81 HTR2A (0.40) SIGMAR1HTR2AHTR2CPRKCEMYLK
SCHEMBL8449854 0.80 SIGMAR1 (0.49) SIGMAR1HTR2AHTR2CPRKCEMYLK
SCHEMBL8324461 0.79 HTR2A (0.48) SIGMAR1HTR2AHTR2CPRKCEMYLK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7049312-B1 Benzothiazinone and benzoxazinone compounds ABBOTT GMBH & CO. KG (DE) 2006-05-23 US disclosed
US-20030134886-A1 Pharmaceutically active compounds ASTRAZENECA AB, A SWEDISH CORPORATION 2003-07-17 US disclosed
US-6492409-B1 SUCH AS 5-(1-(3-AMINOPROPYL)-3-INDOLYL)-1-(3-INDOLYL)-1,3-DIHYDROIMIDAZOL-2-ONE; PROTEIN KINASE C INHIBITORS; HIGH SOLUBILITY; REDUCED COLOR; TREATING INFLAMMATORY AND/OR IMMUNOLOGICAL DISORDERS ASTRAZENECA AB (SE) 2002-12-10 US disclosed
EP-1192150-A1 NEW PHARMACEUTICALLY ACTIVE COMPOUNDS AstraZeneca AB (SE) 2002-04-03 EP disclosed
EP-1181282-A2 BENZOTHIAZINONE AND BENZOXAZINONE COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2002-02-27 EP disclosed
WO-2000078750-A1 NEW PHARMACEUTICALLY ACTIVE COMPOUNDS ASTRAZENECA AB (SE) 2000-12-28 WO disclosed
WO-2000075139-A2 BENZOTHIAZINONE AND BENZOXAZINONE COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2000-12-14 WO disclosed
US-5721245-A ANTIINFLAMMATORY AGENTS, RESPIRATORY SYSTEM DISORDERS, CARDIOVASCULAR DISORDERS HOFFMANN-LA ROCHE INC. (US) 1998-02-24 US disclosed
EP-0540956-B1 Process for the manufacture of substituted maleimides HOFFMANN LA ROCHE (CH) 1997-09-03 EP disclosed
US-5399712-A Protein kinase C inhibitor HOFFMANN-LA ROCHE INC. (US) 1995-03-21 US disclosed
EP-0384349-B1 Substituted pyrroles HOFFMANN LA ROCHE (CH) 1994-04-27 EP disclosed
EP-0540956-A1 Process for the manufacture of substituted maleimides F. HOFFMANN-LA ROCHE AG (CH) 1993-05-12 EP disclosed
EP-0384349-A1 Substituted pyrroles F. HOFFMANN-LA ROCHE AG (CH) 1990-08-29 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 (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-20030134886-A1 Pharmaceutically active compounds HTR3C, HTR6, CNR1 SIGMAR1 78/4885DRD2 676/4885DRD4 856/4885

“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.