SCHEMBL1805360

SCHEMBL1805360

CC(C)c1cccc(-c2ccc3c(c2)C(=O)NC[C@H]2CN(C(=O)O)C[C@H]32)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
SLC5A1 P13866 2/20 0.38
JAK2 O60674 1/20 0.35
PDE10A Q9Y233 1/20 0.34
NOTUM Q6P988 1/20 0.34
HSD17B2 P37059 2/20 0.33
BRD4 O60885 1/20 0.33
CREBBP Q92793 1/20 0.33
PTPN5 P54829 2/20 0.33
NR4A2 P43354 1/20 0.33
CLK4 Q9HAZ1 2/20 0.32
DYRK1B Q9Y463 2/20 0.32
FYN P06241 1/20 0.32
TYRO3 Q06418 1/20 0.32
NTRK2 Q16620 1/20 0.32
TLR9 Q9NR96 1/20 0.32
TLR8 Q9NR97 1/20 0.32
TLR7 Q9NYK1 1/20 0.32

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
SCHEMBL1805364 1.00 RXRA (0.41) RXRARXRBRXRGSLC5A1JAK2
SCHEMBL1805365 1.00 RXRA (0.41) RXRARXRBRXRGSLC5A1JAK2
SCHEMBL1803782 0.85 RXRA (0.36) RXRARXRBRXRGSLC5A1JAK2
SCHEMBL1803785 0.85 RXRA (0.36) RXRARXRBRXRGSLC5A1JAK2
SCHEMBL1803783 0.85 RXRA (0.36) RXRARXRBRXRGSLC5A1JAK2
SCHEMBL2598963 0.83 PIK3CD (0.37) BRD4CREBBP
SCHEMBL1809891 0.82 CRBN (0.42) BRD4CREBBPNR4A2PARP10PARP11
SCHEMBL1809889 0.82 CRBN (0.42) BRD4CREBBPNR4A2PARP10PARP11
SCHEMBL1809890 0.82 CRBN (0.42) BRD4CREBBPNR4A2PARP10PARP11
SCHEMBL2599154 0.82 RORC (0.37) JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2571353-B1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBVIE INC (US) 2017-08-09 EP disclosed
US-8846951-B2 Modulators of 5-HT receptors and methods of use thereof ABBVIE INC. (US) 2014-09-30 US disclosed
US-20110118231-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2011-05-19 US 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-20110118231-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR3A, HTR5A, HTR3C RXRA 1561/4885RXRB 1518/4885RXRG 1585/4885

“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.