SCHEMBL6069800

SCHEMBL6069800

COC(=O)C(C)c1ccc2c(c1)NC(=O)C1CCCC21

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MT-CO2 P00403 1/20 0.40
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
SLC6A3 Q01959 4/20 0.35
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 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
SCHEMBL6070084 0.91 MT-CO2 (0.40) MT-CO2PTGS1PTGS2SLC6A3SLC6A2
SCHEMBL6647039 0.87 MT-CO2 (0.39) MT-CO2PTGS1PTGS2SLC6A3SLC6A2
SCHEMBL6137666 0.86 PTGS1 (0.40) MT-CO2PTGS1PTGS2
SCHEMBL6069808 0.82 NOX1 (0.37)
SCHEMBL6070032 0.81 NAAA (0.35)
SCHEMBL25822110 0.78 ALOX15 (0.54)
SCHEMBL6069580 0.77 PTGS1 (0.40) MT-CO2PTGS1PTGS2
SCHEMBL6643305 0.74 NOS3 (0.48)
SCHEMBL6641179 0.73 NOS1 (0.57) MT-CO2PTGS1PTGS2
SCHEMBL6069805 0.73 HRH3 (0.40)

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 7 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
EP-1054869-B1 3,4-DIHYDROQUINOLINE DERIVATIVES AS NITROGEN MONOXIDE SYNTHASE (NOS) INHIBITORS SCHERING AG (DE) 2004-09-22 EP 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
US-6391887-B1 ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASE; CARDIOVASCULAR DISORDERS SCHERING AKTIENGESELLSCHAFT (DE) 2002-05-21 US disclosed
EP-1054869-A1 3,4-DIHYDROQUINOLINE DERIVATIVES AS NITROGEN MONOXIDE SYNTHASE (NOS) INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 2000-11-29 EP disclosed
WO-1999041240-A1 3,4-DIHYDROQUINOLINE DERIVATIVES AS NITROGEN MONOXIDE SYNTHASE (NOS) INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 1999-08-19 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.