SCHEMBL6069733

SCHEMBL6069733

CC(C)(C)OC(=O)N(CCc1cc2c(cc1Cl)C1CCCC1C(=S)N2)Cc1cccc(Cl)c1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 9/20 0.35
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
HDAC1 Q13547 1/20 0.34
RIPK1 Q13546 1/20 0.32
ALDH1A1 P00352 2/20 0.31
TACR1 P25103 2/20 0.31
GAA P10253 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MBTPS1 Q14703 1/20 0.31
TP53 P04637 1/20 0.31
MDM2 Q00987 1/20 0.31
CPB2 Q96IY4 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL6069643 0.91 GHSR (0.36) GHSRNOS3NOS1NOS2HDAC1
SCHEMBL6069723 0.90 GHSR (0.37) GHSRNOS3NOS1NOS2HDAC1
SCHEMBL6069793 0.87 GHSR (0.39) GHSRNOS3NOS1NOS2HDAC1
SCHEMBL6069731 0.82 GHSR (0.36) GHSRNOS3NOS1NOS2RIPK1
SCHEMBL6069538 0.81 NOS3 (0.57) GHSRNOS3NOS1NOS2
SCHEMBL6070003 0.78 TACR1 (0.34) GHSRRIPK1ALDH1A1TACR1GAA
SCHEMBL6069720 0.78 GHSR (0.36) GHSRRIPK1ALDH1A1TACR1GAA
SCHEMBL6069728 0.78 GHSR (0.40) GHSRNOS3NOS1NOS2HDAC1
SCHEMBL6069534 0.77 RIPK1 (0.34) GHSRRIPK1ALDH1A1TACR1GAA
SCHEMBL6069204 0.74 NOS3 (0.56) GHSRNOS3NOS1NOS2

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 GHSR 4522/4885NOS3 1/4885NOS1 2/4885

“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.