SCHEMBL6069738

SCHEMBL6069738

CCC(NCc1cccc(Cl)c1)c1ccc2c(c1)NC(=O)C1CCCC21

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 5/20 0.39
NOS1 P29475 5/20 0.39
NOS2 P35228 5/20 0.39
HTT P42858 1/20 0.36
P2RX7 Q99572 1/20 0.35
CHRM2 P08172 1/20 0.35
BACE1 P56817 1/20 0.35
PGR P06401 2/20 0.35
ADORA1 P30542 1/20 0.35
MAPT P10636 1/20 0.33
ALOX12 P18054 1/20 0.33
F2 P00734 1/20 0.33
EPHX2 P34913 1/20 0.32
PDE9A O76083 1/20 0.32
GHSR Q92847 1/20 0.32

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
SCHEMBL6069590 0.88 NOS3 (0.42) NOS3NOS1NOS2HTTP2RX7
SCHEMBL6069245 0.80 NOS3 (0.55) NOS3NOS1NOS2HTTCHRM2
SCHEMBL6069480 0.79 NOS3 (0.39) NOS3NOS1NOS2HTTP2RX7
SCHEMBL6560391 0.77 NOS1 (0.66) NOS3NOS1NOS2
Hydrochloric Acid SCHEMBL6069891 0.76 NOS1 (0.67) NOS3NOS1NOS2
SCHEMBL6069594 0.76 NOS3 (0.59) NOS3NOS1NOS2HTTCHRM2
SCHEMBL6069767 0.75 RIPK1 (0.34) HTTGHSR
SCHEMBL6069914 0.72 NOS3 (0.40) NOS3NOS1NOS2HTTP2RX7
SCHEMBL6069483 0.72 NOS3 (0.61) NOS3NOS1NOS2HTTCHRM2
SCHEMBL6069808 0.69 NOX1 (0.37) MAPT

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 3 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

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.