SCHEMBL830447

SCHEMBL830447

CCOC(=O)c1ccc(N(CC)c2cc3c4c(c2)CCCC4(C)CCC3)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.41
RXRB P28702 2/20 0.41
RXRG P48443 2/20 0.41
MAPT P10636 6/20 0.39
MAPK1 P28482 3/20 0.39
KDM4E B2RXH2 1/20 0.39
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA7 P43166 2/20 0.39
CA9 Q16790 2/20 0.39
CA14 Q9ULX7 2/20 0.39
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
SMN1; SMN2 Q16637 7/20 0.39
NPSR1 Q6W5P4 3/20 0.39
KMT2A Q03164 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
MEN1 O00255 2/20 0.39

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
SCHEMBL829710 0.89 DRD2 (0.38) RXRARXRBRXRGMAPTMAPK1
SCHEMBL829279 0.86 RXRA (0.56) RXRARXRBRXRGALDH1A1RARA
SCHEMBL829656 0.81 CYP19A1 (0.44) MAPTMAPK1KDM4ECA12CA1
SCHEMBL829973 0.80 RAB9A (0.41) MAPTMAPK1KDM4ECA12CA1
SCHEMBL829649 0.80 RAB9A (0.48) MAPTMAPK1KDM4ESMN1; SMN2NPSR1
SCHEMBL829378 0.74 NOTUM (0.39) RXRARXRBRXRGMAPTMAPK1
SCHEMBL829946 0.72 RXRA (0.56) RXRARXRBRXRGKDM4EALDH1A1
SCHEMBL16377544 0.71 SMN1; SMN2 (0.53) MAPK1CA12CA1CA2CA7
SCHEMBL829782 0.70 RAB9A (0.41) MAPTMAPK1KDM4ESMN1; SMN2NPSR1
SCHEMBL7564506 0.70 RXRA (0.46) RXRARXRBRXRGMAPTMAPK1

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 7 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-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
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 RXRA 1/4885RXRB 2/4885RXRG 4/4885

“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.