SCHEMBL13619991

SCHEMBL13619991

O=C(Nc1cc2c3c(c1)C(c1ccccc1)CCN3CCC2c1ccccc1)N1CCCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.48
TP53 P04637 5/20 0.48
RAB9A P51151 5/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
MAPT P10636 5/20 0.45
POLB P06746 3/20 0.45
NPSR1 Q6W5P4 2/20 0.45
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
EPHX2 P34913 1/20 0.44
RECQL P46063 1/20 0.44
HTT P42858 3/20 0.44
NFKB1 P19838 2/20 0.44
NFKB2 Q00653 2/20 0.44
RELA Q04206 2/20 0.44
LMNA P02545 2/20 0.44
KDM4E B2RXH2 2/20 0.43
HCRTR1 O43613 1/20 0.43
USP2 O75604 1/20 0.43

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
SCHEMBL1411629 0.90 CYP2C9 (0.56) NPC1TP53RAB9ASMN1; SMN2MAPT
SCHEMBL13625662 0.86 MAPT (0.43) NPC1TP53RAB9ASMN1; SMN2MAPT
SCHEMBL8989689 0.84 SMN1; SMN2 (0.45) NPC1TP53RAB9ASMN1; SMN2MAPT
SCHEMBL14523185 0.84 SCN9A (0.43) NPC1TP53RAB9ASMN1; SMN2MAPT
SCHEMBL2391310 0.81 HTT (0.40) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL8989761 0.81 EPHX2 (0.43) RAB9ASMN1; SMN2MAPTALDH1A1EPHX2
SCHEMBL8989744 0.81 RAB9A (0.54) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1
SCHEMBL1411683 0.81 KDM4E (0.39) TP53RAB9AMAPTALDH1A1HTT
SCHEMBL8988943 0.81 MAPT (0.39) NPC1TP53RAB9ASMN1; SMN2MAPT
SCHEMBL8989747 0.80 RAB9A (0.56) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1

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 NPC1 240/4885TP53 2222/4885RAB9A 1966/4885

“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.