SCHEMBL829946

SCHEMBL829946

CCN(c1cc2c3c(c1)CCCC3(C)CCC2)c1ncc(C(=O)O)cn1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RXRA P19793 17/20 0.56
RXRB P28702 11/20 0.56
RXRG P48443 11/20 0.56
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PPARG P37231 2/20 0.37
NR1H3 Q13133 1/20 0.37
LTC4S Q16873 1/20 0.34
KDM4C Q9H3R0 1/20 0.33

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
SCHEMBL829595 0.87 RXRA (0.59) RXRARXRBRXRGKDM4EALDH1A1
SCHEMBL830043 0.85 ALDH1A1 (0.43) RXRARXRBRXRGKDM4EALDH1A1
SCHEMBL829279 0.82 RXRA (0.56) RXRARXRBRXRGALDH1A1KDM4C
SCHEMBL829812 0.81 RXRA (0.49) RXRARXRBRXRGKDM4EALDH1A1
SCHEMBL829288 0.80 RXRA (0.48) RXRARXRBRXRGKDM4EALDH1A1
SCHEMBL829839 0.74 ALDH1A1 (0.46) RXRARXRBRXRGKDM4EALDH1A1
SCHEMBL830054 0.74 HDAC6 (0.39) RXRARXRBRXRG
SCHEMBL17049104 0.72 RXRA (1.00) RXRARXRBRXRGPPARGNR1H3
SCHEMBL830447 0.72 RXRA (0.41) RXRARXRBRXRGKDM4EALDH1A1
SCHEMBL830065 0.72 RXRA (0.44) RXRARXRBRXRGLTC4SKDM4C

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 8 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
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.