SCHEMBL6069728

SCHEMBL6069728

CC(C)(C)OC(=O)N(Cc1cccc(Cl)c1)Cc1ccc2c(c1)NC(=O)C1CCCC21

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 8/20 0.40
RIPK1 Q13546 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
NCOR2 Q9Y618 1/20 0.36
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TACR1 P25103 3/20 0.35
MAP2K2 P36507 1/20 0.34
CALCRL Q16602 1/20 0.34
NPC1 O15118 1/20 0.34
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
SSTR1 P30872 1/20 0.34
SSTR4 P31391 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL6069793 0.90 GHSR (0.39) GHSRRIPK1HDAC3HDAC1HDAC2
SCHEMBL6069643 0.87 GHSR (0.36) GHSRRIPK1HDAC1ALDH1A1GAA
SCHEMBL6069723 0.85 GHSR (0.37) GHSRRIPK1HDAC1TACR1NOS3
SCHEMBL6069767 0.83 RIPK1 (0.34) GHSRRIPK1ALDH1A1GAAL3MBTL1
SCHEMBL6069638 0.82 GHSR (0.36) GHSRRIPK1ALDH1A1GAAL3MBTL1
SCHEMBL6069609 0.81 TACR1 (0.34) GHSRRIPK1ALDH1A1GAAL3MBTL1
SCHEMBL6069300 0.80 SMN1; SMN2 (0.37) GHSRRIPK1HDAC3HDAC1HDAC2
SCHEMBL6069478 0.79 NOS3 (0.59) GHSRNOS3NOS1NOS2
SCHEMBL7711139 0.79 PARP1 (0.48) RIPK1HDAC3HDAC1HDAC2NCOR2
SCHEMBL6302723 0.78 PARP1 (0.47) RIPK1HDAC3HDAC1HDAC2NCOR2

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 GHSR 4522/4885RIPK1 4151/4885HDAC3 1059/4885

“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.