SCHEMBL829859

SCHEMBL829859

CCN(c1ccc(C(=O)O)cc1)c1cc2c3c(c1)CCCC3CCC2

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RXRA P19793 10/20 0.48
RXRB P28702 8/20 0.48
RXRG P48443 8/20 0.48
KDM4C Q9H3R0 1/20 0.42
NPSR1 Q6W5P4 1/20 0.38
ALDH1A1 P00352 3/20 0.37
KMO O15229 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP1A2 P05177 1/20 0.36
DRD3 P35462 1/20 0.35
TNKS O95271 1/20 0.35
TNKS2 Q9H2K2 1/20 0.35
NPC1 O15118 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL830495 0.96 RXRB (0.47) RXRARXRBRXRGKDM4CNPSR1
SCHEMBL829556 0.86 RXRA (0.42) RXRARXRBRXRGKDM4CALDH1A1
SCHEMBL829656 0.86 CYP19A1 (0.44) NPSR1ALDH1A1KDM4ECYP1A2DRD3
SCHEMBL830317 0.83 RXRA (0.48) RXRARXRBRXRGKDM4CALDH1A1
SCHEMBL829596 0.83 RXRB (0.44) RXRARXRBRXRGALDH1A1KMO
SCHEMBL829812 0.82 RXRA (0.49) RXRARXRBRXRGKDM4CALDH1A1
SCHEMBL31003834 0.81 RXRA (0.51) RXRARXRBRXRGNPSR1KMO
SCHEMBL830053 0.80 RXRA (0.50) RXRARXRBRXRGKDM4CALDH1A1
SCHEMBL829279 0.79 RXRA (0.56) RXRARXRBRXRGKDM4CALDH1A1
SCHEMBL829288 0.79 RXRA (0.48) RXRARXRBRXRGKDM4CALDH1A1

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.