SCHEMBL829840

SCHEMBL829840

CCOC(=O)c1ccc(Nc2cc3c4c(c2)CCCC4CCC3)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.50
NPC1 O15118 7/20 0.49
HPGD P15428 3/20 0.49
TP53 P04637 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
THRB P10828 1/20 0.49
SLC2A1 P11166 1/20 0.49
MAPT P10636 5/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
ALDH1A1 P00352 5/20 0.48
MAPK1 P28482 2/20 0.48
KDM4E B2RXH2 1/20 0.48
POLB P06746 2/20 0.46
PDPK1 O15530 1/20 0.46
GAA P10253 1/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL829663 0.96 RAB9A (0.51) RAB9ANPC1HPGDTP53CYP1A2
SCHEMBL829249 0.83 RAB9A (0.41) RAB9ANPC1HPGDTP53CYP1A2
SCHEMBL829649 0.80 RAB9A (0.48) RAB9ANPC1HPGDTP53CYP1A2
SCHEMBL829027 0.80 RAB9A (0.41) RAB9ANPC1HPGDTP53CYP1A2
SCHEMBL829656 0.79 CYP19A1 (0.44) RAB9ANPC1HPGDTP53CYP1A2
SCHEMBL12124929 0.77 RAB9A (0.69) RAB9ANPC1HPGDTP53CYP1A2
SCHEMBL830021 0.77 KMO (0.42) RAB9ANPC1TP53CYP1A2KMT2A
SCHEMBL829627 0.77 RAB9A (0.42) RAB9ANPC1CYP1A2MAPTSMN1; SMN2
SCHEMBL829973 0.76 RAB9A (0.41) RAB9ANPC1CYP1A2MAPTSMN1; SMN2
SCHEMBL2396701 0.74 ALDH1A1 (0.49) RAB9ANPC1HPGDTP53KMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143260-B2 Tricyclic amine compound RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2012-03-27 US disclosed
US-8143260-B2 Tricyclic amine compound RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2012-03-27 US disclosed
US-20110288299-A1 TRICYCLIC AMINE COMPOUND RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2011-11-24 US disclosed
US-20110288299-A1 TRICYCLIC AMINE COMPOUND RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2011-11-24 US disclosed
EP-2189440-A1 TRICYCLIC AMINE COMPOUND Research Foundation Itsuu Laboratory (JP) 2010-05-26 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-20110288299-A1 TRICYCLIC AMINE COMPOUND RXRA, RXRB, NR2C2 RAB9A 1729/4885NPC1 904/4885HPGD 1261/4885

“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.