SCHEMBL829649

SCHEMBL829649

CCOC(=O)c1ccc(Nc2cc3c4c(c2)CCCC4(C)CCC3)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.48
KMT2A Q03164 5/20 0.48
MEN1 O00255 4/20 0.48
THRB P10828 1/20 0.48
SLC2A1 P11166 1/20 0.48
MAPT P10636 6/20 0.47
KDM4E B2RXH2 2/20 0.47
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 6/20 0.47
NPSR1 Q6W5P4 3/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
NPC1 O15118 6/20 0.47
GAA P10253 1/20 0.46
LMNA P02545 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
PDPK1 O15530 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
SCHEMBL829782 0.83 RAB9A (0.41) RAB9AKMT2AMEN1THRBMAPT
SCHEMBL829589 0.83 RXRA (0.43) RAB9AKMT2AMEN1MAPTKDM4E
SCHEMBL829840 0.80 RAB9A (0.50) RAB9AKMT2AMEN1THRBSLC2A1
SCHEMBL830447 0.80 RXRA (0.41) RAB9AKMT2AMEN1MAPTKDM4E
SCHEMBL829663 0.79 RAB9A (0.51) RAB9AKMT2AMEN1THRBSLC2A1
SCHEMBL12124929 0.76 RAB9A (0.69) RAB9AKMT2AMEN1THRBSLC2A1
SCHEMBL829710 0.76 DRD2 (0.38) RAB9AKMT2AMEN1MAPTKDM4E
SCHEMBL2394731 0.75 KDM4E (0.48) RAB9AKMT2AMEN1MAPTKDM4E
SCHEMBL2394353 0.74 NPC1 (0.50) RAB9AKMT2AMEN1MAPTKDM4E
SCHEMBL16377544 0.73 SMN1; SMN2 (0.53) RAB9AKMT2AMEN1MAPK1SMN1; SMN2

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 1729/4885KMT2A 1015/4885MEN1 2265/4885

“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.