SCHEMBL6069723

SCHEMBL6069723

CC(C)(C)OC(=O)N(CCc1ccc2c(c1)NC(=S)C1CCCC21)Cc1cccc(Cl)c1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 8/20 0.37
MBTPS1 Q14703 2/20 0.35
HDAC1 Q13547 1/20 0.35
NOS3 P29474 3/20 0.34
NOS1 P29475 3/20 0.34
NOS2 P35228 3/20 0.34
SLC2A1 P11166 1/20 0.33
RIPK1 Q13546 1/20 0.33
LPAR1 Q92633 1/20 0.33
LPAR5 Q9H1C0 1/20 0.33
TAAR1 Q96RJ0 1/20 0.32
TACR1 P25103 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
SCHEMBL6069793 0.94 GHSR (0.39) GHSRHDAC1NOS3NOS1NOS2
SCHEMBL6069733 0.90 GHSR (0.35) GHSRMBTPS1HDAC1NOS3NOS1
SCHEMBL6069728 0.85 GHSR (0.40) GHSRHDAC1NOS3NOS1NOS2
SCHEMBL6069720 0.81 GHSR (0.36) GHSRRIPK1TACR1
SCHEMBL7705076 0.81 HDAC1 (0.35) GHSRMBTPS1HDAC1SLC2A1RIPK1
SCHEMBL6069643 0.81 GHSR (0.36) GHSRMBTPS1HDAC1NOS3NOS1
SCHEMBL6069204 0.80 NOS3 (0.56) GHSRNOS3NOS1NOS2
SCHEMBL6069534 0.80 RIPK1 (0.34) GHSRRIPK1TACR1
SCHEMBL6069731 0.79 GHSR (0.36) GHSRNOS3NOS1NOS2RIPK1
SCHEMBL6070003 0.78 TACR1 (0.34) GHSRRIPK1TACR1

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 4522/4885MBTPS1 1027/4885HDAC1 1871/4885

“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.