SCHEMBL1809889

SCHEMBL1809889

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 1/20 0.42
ADRA2A P08913 1/20 0.40
ADRA1A P35348 1/20 0.40
PIK3CG P48736 1/20 0.39
BRD4 O60885 3/20 0.38
CREBBP Q92793 2/20 0.38
TAF1 P21675 1/20 0.38
CDK8 P49336 1/20 0.36
PARP10 Q53GL7 1/20 0.36
PARP11 Q9NR21 1/20 0.36
PDK2 Q15119 1/20 0.36
PIP5K1C O60331 1/20 0.35
PIK3CA P42336 1/20 0.35
PIM1 P11309 1/20 0.35
PIM2 Q9P1W9 1/20 0.35
NR4A2 P43354 1/20 0.35
JAK3 P52333 1/20 0.34
MAPKAPK2 P49137 1/20 0.34
KDM5A P29375 1/20 0.34
KDM4C Q9H3R0 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
SCHEMBL1809891 1.00 CRBN (0.42) CRBNADRA2AADRA1APIK3CGBRD4
SCHEMBL1809890 1.00 CRBN (0.42) CRBNADRA2AADRA1APIK3CGBRD4
SCHEMBL1804607 0.88 CRBN (0.43) CRBNADRA2AADRA1APIK3CGBRD4
SCHEMBL1804609 0.88 CRBN (0.43) CRBNADRA2AADRA1APIK3CGBRD4
SCHEMBL1804606 0.88 CRBN (0.43) CRBNADRA2AADRA1APIK3CGBRD4
SCHEMBL1803514 0.83 CRBN (0.46) CRBNADRA2AADRA1APIK3CGBRD4
SCHEMBL1803516 0.83 CRBN (0.46) CRBNADRA2AADRA1APIK3CGBRD4
SCHEMBL1803513 0.83 CRBN (0.46) CRBNADRA2AADRA1APIK3CGBRD4
SCHEMBL1805365 0.82 RXRA (0.41) BRD4CREBBPPARP10PARP11NR4A2
SCHEMBL1805364 0.82 RXRA (0.41) BRD4CREBBPPARP10PARP11NR4A2

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 CRBN 4076/4885ADRA2A 81/4885ADRA1A 140/4885

“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.