SCHEMBL1806741

SCHEMBL1806741

O=C1NC[C@H]2CN(C(=O)O)C[C@@H]2c2ccc(-c3ccsc3)cc21

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACMSD Q8TDX5 1/20 0.35
PTPRC P08575 1/20 0.35
PIM1 P11309 3/20 0.35
CHEK1 O14757 1/20 0.34
ALOX5 P09917 1/20 0.34
ERN1 O75460 1/20 0.33
CHEK2 O96017 1/20 0.32
DRD2 P14416 2/20 0.32
DRD4 P21917 2/20 0.32
CDK2 P24941 1/20 0.32
GSK3A P49840 1/20 0.32
GSK3B P49841 1/20 0.32
PARP1 P09874 1/20 0.32
KDM4C Q9H3R0 2/20 0.31
PIM2 Q9P1W9 2/20 0.31
KDM6B O15054 1/20 0.31
BRD2 P25440 1/20 0.31
PPARD Q03181 1/20 0.31

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
SCHEMBL1806744 1.00 ACMSD (0.35) ACMSDPTPRCPIM1CHEK1ALOX5
SCHEMBL1806742 1.00 ACMSD (0.35) ACMSDPTPRCPIM1CHEK1ALOX5
SCHEMBL861829 0.84 HDAC2 (0.40) PIM1PARP1
SCHEMBL2599154 0.82 RORC (0.37) PARP1
SCHEMBL1805265 0.82 TBK1 (0.31)
SCHEMBL1805261 0.82 TBK1 (0.31)
SCHEMBL1805263 0.82 TBK1 (0.31)
SCHEMBL861643 0.81 PBRM1 (0.34) GSK3BPARP1
SCHEMBL860711 0.80 CDK5 (0.36) PARP1
SCHEMBL2599006 0.80 PAX8 (0.41) CHEK1

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 ACMSD 1601/4885PTPRC 1602/4885PIM1 4508/4885

“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.