SCHEMBL6070084

SCHEMBL6070084

COC(=O)C(C)c1ccc2c(c1)C1CCCC1C(=O)N2

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MT-CO2 P00403 1/20 0.40
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
SLC6A3 Q01959 5/20 0.35
GAA P10253 1/20 0.34
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL6069800 0.91 MT-CO2 (0.40) MT-CO2PTGS1PTGS2SLC6A3SLC6A2
SCHEMBL6069580 0.86 PTGS1 (0.40) MT-CO2PTGS1PTGS2KMT2A
SCHEMBL6647039 0.78 MT-CO2 (0.39) MT-CO2PTGS1PTGS2SLC6A3SLC6A2
SCHEMBL6137666 0.77 PTGS1 (0.40) MT-CO2PTGS1PTGS2KDM4EMAPT
SCHEMBL6642813 0.74 NOS3 (0.48)
SCHEMBL6070089 0.74 HRH3 (0.41) GAAKDM4EMEN1MAPTKMT2A
SCHEMBL6069470 0.74 ALOX15 (0.38) GAAMEN1MAPTKMT2A
SCHEMBL6069472 0.73 APP (0.45) GAAKDM4EMAPTKMT2A
SCHEMBL6645803 0.72 NOS3 (0.44) KDM4EMEN1POLBMAPTKMT2A
SCHEMBL6069808 0.72 NOX1 (0.37) GAAKDM4EMEN1POLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7067667-B2 Aminoalkyl-3, 4-dihydroquinoline derivatives as no-synthase inhibitors SCHERING AKTIENGESELLSCHAFT (DE) 2006-06-27 US disclosed
US-20040127712-A1 Aminoalkyl-3, 4-dihydroquinoline derivatives as no-synthase inhibitors JAROCH STEFAN (DE) 2004-07-01 US disclosed
EP-1115708-B1 AMINOALKYL-3,4-DIHYDROQUINOLINE DERIVATES AS NO-SYNTHASE INHIBITORS SCHERING AG (DE) 2004-04-14 EP disclosed
EP-1115708-A1 AMINOALKYL-3,4-DIHYDROQUINOLINE DERIVATES AS NO-SYNTHASE INHIBITORS Schering Aktiengesellschaft (DE) 2001-07-18 EP disclosed
WO-2000017167-A1 AMINOALKYL-3,4-DIHYDROQUINOLINE DERIVATES AS NO-SYNTHASE INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 2000-03-30 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-20040127712-A1 Aminoalkyl-3, 4-dihydroquinoline derivatives as no-synthase inhibitors NOS3, NOS1, NOS2 MT-CO2 2625/4885PTGS1 73/4885PTGS2 48/4885

“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.