SCHEMBL13619993

SCHEMBL13619993

CCSC(=O)Nc1cc2c3c(c1)C(c1ccccc1)CCN3CCC2c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 3/20 0.38
ALDH1A1 P00352 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MAPT P10636 3/20 0.37
HTT P42858 2/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
EPHX2 P34913 3/20 0.35
NPC1 O15118 4/20 0.35
RAB9A P51151 4/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
STAT1 P42224 1/20 0.35
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
DRD3 P35462 1/20 0.34
NPY2R P49146 2/20 0.34
MCL1 Q07820 1/20 0.34
LIPG Q9Y5X9 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
SCHEMBL8988951 0.91 ALDH1A1 (0.44) RIPK1ALDH1A1NPSR1MAPTHTT
SCHEMBL8988943 0.87 MAPT (0.39) RIPK1ALDH1A1MAPTHTTKDM4E
SCHEMBL14523185 0.83 SCN9A (0.43) ALDH1A1MAPTHTTKDM4ELMNA
SCHEMBL13625662 0.83 MAPT (0.43) RIPK1ALDH1A1MAPTHTTKDM4E
SCHEMBL1411780 0.83 KDM1A (0.41) RIPK1ALDH1A1MAPTHTTKDM4E
SCHEMBL11995845 0.82 LMNA (0.46) ALDH1A1MAPTKDM4ELMNAHPGD
SCHEMBL8989687 0.82 LMNA (0.40) RIPK1ALDH1A1NPSR1MAPTHTT
SCHEMBL2389189 0.82 LMNA (0.46) ALDH1A1MAPTKDM4ELMNAHPGD
SCHEMBL8990227 0.82 LMNA (0.40) RIPK1ALDH1A1NPSR1MAPTHTT
SCHEMBL8990027 0.81 ALDH1A1 (0.36) ALDH1A1NPSR1MAPTHTTLMNA

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-20090281322-A1 THERAPEUTICALLY USEFUL SUBSTITUTED 1,7-DIPHENYL-1,2,3,5,6,7-HEXAHYDROPYRIDO[3,2,1-Ij]QUINOLINE COMPOUNDS ALLERGAN, INC. (US) 2009-11-12 US disclosed
US-20090281322-A1 THERAPEUTICALLY USEFUL SUBSTITUTED 1,7-DIPHENYL-1,2,3,5,6,7-HEXAHYDROPYRIDO[3,2,1-Ij]QUINOLINE COMPOUNDS ALLERGAN, INC. (US) 2009-11-12 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-20090281322-A1 THERAPEUTICALLY USEFUL SUBSTITUTED 1,7-DIPHENYL-1,2,3,5,6,7-HEXAHYDROPYRIDO[3,2,1-Ij]QUINOLINE COMPOUNDS GOT1, GOT2, NDUFA7 RIPK1 4536/4885ALDH1A1 153/4885NPSR1 1998/4885

“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.