SCHEMBL6069929

SCHEMBL6069929

NC=CCC1=Nc2ccccc2CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.49
NOS1 P29475 1/20 0.49
NOS2 P35228 1/20 0.49
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
CTSD P07339 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
TRPA1 O75762 1/20 0.33
ACHE P22303 5/20 0.32
BCHE P06276 1/20 0.32
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
LMNA P02545 1/20 0.31
CYP3A4 P08684 1/20 0.31

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
SCHEMBL13645494 0.73 NOS3 (0.52) NOS3NOS1NOS2NPC1RAB9A
SCHEMBL9938378 0.70 NOS3 (0.53) NOS3NOS1NOS2NPC1RAB9A
SCHEMBL11065611 0.68 NOS3 (0.50) NOS3NOS1NOS2NPC1RAB9A
SCHEMBL4199895 0.68 NOS3 (0.59) NOS3NOS1NOS2NPC1RAB9A
SCHEMBL2075410 0.66 NOS3 (1.00) NOS3NOS1NOS2NPC1RAB9A
SCHEMBL28682935 0.66 NOS3 (0.43) NOS3NOS1NOS2NPC1RAB9A
Hydrochloric Acid SCHEMBL8324907 0.65 NOS3 (0.96) NOS3NOS1NOS2NPC1RAB9A
SCHEMBL5958858 0.64 NOS3 (0.59) NOS3NOS1NOS2NPC1RAB9A
SCHEMBL5833897 0.63 NOS3 (0.44) NOS3NOS1NOS2NPC1RAB9A
SCHEMBL11234716 0.63 NOS3 (0.36) NOS3NOS1NOS2NPC1RAB9A

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 2 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

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.