SCHEMBL6069203

SCHEMBL6069203

CC(c1ccc2c(c1)N=C(N)C1CCCC21)N(Cc1cccc(Cl)c1)C(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 14/20 0.51
NOS1 P29475 14/20 0.51
NOS2 P35228 14/20 0.51
GHSR Q92847 3/20 0.36
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
RIPK1 Q13546 1/20 0.35
TRPM8 Q7Z2W7 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
SCHEMBL6069521 0.91 NOS3 (0.50) NOS3NOS1NOS2GHSRRIPK1
SCHEMBL6069537 0.90 NOS3 (0.49) NOS3NOS1NOS2GHSRALDH1A1
SCHEMBL6069478 0.85 NOS3 (0.59) NOS3NOS1NOS2GHSR
SCHEMBL6069204 0.81 NOS3 (0.56) NOS3NOS1NOS2GHSR
SCHEMBL6069720 0.81 GHSR (0.36) GHSRALDH1A1GAAL3MBTL1RIPK1
SCHEMBL6069538 0.78 NOS3 (0.57) NOS3NOS1NOS2GHSR
SCHEMBL6069425 0.78 NOS3 (0.46) NOS3NOS1NOS2TRPM8
SCHEMBL6561322 0.76 NOS1 (0.69) NOS3NOS1NOS2
Hydrochloric Acid SCHEMBL6069274 0.75 NOS1 (0.71) NOS3NOS1NOS2
SCHEMBL6069638 0.74 GHSR (0.36) GHSRALDH1A1GAAL3MBTL1RIPK1

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.