SCHEMBL1803783

SCHEMBL1803783

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
BRD4 O60885 1/20 0.35
CREBBP Q92793 1/20 0.35
HSD17B2 P37059 2/20 0.35
PTPN5 P54829 2/20 0.35
CLK4 Q9HAZ1 2/20 0.34
DYRK1B Q9Y463 2/20 0.34
FYN P06241 1/20 0.34
SLC5A1 P13866 2/20 0.34
GRIA2 P42262 5/20 0.33
MAPKAPK2 P49137 1/20 0.33
JAK2 O60674 1/20 0.33
KCNH2 Q12809 3/20 0.32
TYRO3 Q06418 1/20 0.32
NTRK2 Q16620 1/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CDC7 O00311 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
SCHEMBL1803782 1.00 RXRA (0.36) RXRARXRBRXRGBRD4CREBBP
SCHEMBL1803785 1.00 RXRA (0.36) RXRARXRBRXRGBRD4CREBBP
SCHEMBL1804886 0.92 HSD17B2 (0.38) BRD4CREBBPHSD17B2PTPN5CLK4
SCHEMBL1804199 0.92 HSD17B2 (0.38) BRD4CREBBPHSD17B2PTPN5CLK4
SCHEMBL861169 0.92 HSD17B2 (0.38) BRD4CREBBPHSD17B2PTPN5CLK4
SCHEMBL861170 0.92 HSD17B2 (0.38) BRD4CREBBPHSD17B2PTPN5CLK4
SCHEMBL2599050 0.91 NTRK2 (0.33) BRD4CREBBPHSD17B2PTPN5CLK4
SCHEMBL1806277 0.91 NTRK2 (0.33) BRD4CREBBPHSD17B2PTPN5CLK4
SCHEMBL2599052 0.91 NTRK2 (0.33) BRD4CREBBPHSD17B2PTPN5CLK4
SCHEMBL1806279 0.91 NTRK2 (0.33) BRD4CREBBPHSD17B2PTPN5CLK4

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
EP-2571353-B1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBVIE INC (US) 2017-08-09 EP claimed
US-20110118231-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2011-05-19 US claimed
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.