SCHEMBL6069425

SCHEMBL6069425

CC(C)(C)OC(=O)N(Cc1cccc(Cl)c1)C1CCc2cc3c(cc21)N=C(N)C1CCCC31

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 17/20 0.46
NOS1 P29475 17/20 0.46
NOS2 P35228 17/20 0.46
SLC6A9 P48067 2/20 0.34
KCNH2 Q12809 2/20 0.34
SLC6A5 Q9Y345 2/20 0.34
TRPM8 Q7Z2W7 1/20 0.33

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
SCHEMBL6069609 0.82 TACR1 (0.34) SLC6A9KCNH2SLC6A5TRPM8
SCHEMBL6069478 0.82 NOS3 (0.59) NOS3NOS1NOS2
SCHEMBL6070003 0.81 TACR1 (0.34) SLC6A9KCNH2SLC6A5TRPM8
SCHEMBL6069537 0.79 NOS3 (0.49) NOS3NOS1NOS2
SCHEMBL6069204 0.78 NOS3 (0.56) NOS3NOS1NOS2
SCHEMBL6069538 0.78 NOS3 (0.57) NOS3NOS1NOS2
SCHEMBL6069203 0.78 NOS3 (0.51) NOS3NOS1NOS2TRPM8
SCHEMBL6069521 0.77 NOS3 (0.50) NOS3NOS1NOS2TRPM8
SCHEMBL6560365 0.72 NOS3 (0.64) NOS3NOS1NOS2
SCHEMBL6069550 0.72 NOS3 (0.39) NOS3NOS1NOS2SLC6A9KCNH2

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 6 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 claimed
US-20040127712-A1 Aminoalkyl-3, 4-dihydroquinoline derivatives as no-synthase inhibitors JAROCH STEFAN (DE) 2004-07-01 US claimed
EP-1115708-B1 AMINOALKYL-3,4-DIHYDROQUINOLINE DERIVATES AS NO-SYNTHASE INHIBITORS SCHERING AG (DE) 2004-04-14 EP claimed
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

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 NOS3 1/4885NOS1 2/4885NOS2 3/4885

“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.