SCHEMBL13620038

SCHEMBL13620038

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.44
NPC1 O15118 4/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
MAPT P10636 2/20 0.44
TP53 P04637 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
KMT2A Q03164 1/20 0.44
RELA Q04206 1/20 0.44
PPARG P37231 3/20 0.43
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
CHRM5 P08912 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
HPGD P15428 2/20 0.42
LMNA P02545 1/20 0.42
EPHX2 P34913 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL8987918 0.99 RAB9A (0.45) RAB9ANPC1SMN1; SMN2MAPTTP53
SCHEMBL1411660 0.96 RAB9A (0.48) RAB9ANPC1SMN1; SMN2MAPTTP53
SCHEMBL11995846 0.92 SMN1; SMN2 (0.46) RAB9ANPC1SMN1; SMN2MAPTTP53
SCHEMBL2391492 0.92 SMN1; SMN2 (0.46) RAB9ANPC1SMN1; SMN2MAPTTP53
SCHEMBL1410903 0.89 BCHE (0.43) RAB9ANPC1SMN1; SMN2MAPTTP53
SCHEMBL14899260 0.88 BCHE (0.39) RAB9ANPC1SMN1; SMN2MAPTTP53
SCHEMBL1411786 0.88 BCHE (0.41) RAB9ANPC1SMN1; SMN2MAPTTP53
SCHEMBL8988959 0.88 BCHE (0.41) RAB9ANPC1SMN1; SMN2MAPTTP53
SCHEMBL2389189 0.87 LMNA (0.46) RAB9ANPC1MAPTKMT2AHPGD
SCHEMBL11995845 0.87 LMNA (0.46) RAB9ANPC1MAPTKMT2AHPGD

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 RAB9A 1966/4885NPC1 240/4885SMN1; SMN2 3367/4885

“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.