SCHEMBL1803516

SCHEMBL1803516

CNC(=O)c1cccc(-c2ccc3c(c2)C(=O)NCC2CNCC32)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 1/20 0.46
BRD4 O60885 1/20 0.41
CREBBP Q92793 1/20 0.41
PIK3CG P48736 1/20 0.39
CDK8 P49336 1/20 0.39
PARP10 Q53GL7 1/20 0.39
PARP11 Q9NR21 1/20 0.39
PDK2 Q15119 1/20 0.39
ADRA2A P08913 1/20 0.39
ADRA1A P35348 1/20 0.39
TAF1 P21675 1/20 0.39
PIP5K1C O60331 1/20 0.38
PIK3CA P42336 1/20 0.38
MAPKAPK2 P49137 1/20 0.37
CYP17A1 P05093 1/20 0.37
CYP3A4 P08684 1/20 0.37
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
LRRK2 Q5S007 1/20 0.36
PIM1 P11309 1/20 0.35

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
SCHEMBL1803514 1.00 CRBN (0.46) CRBNBRD4CREBBPPIK3CGCDK8
SCHEMBL1803513 1.00 CRBN (0.46) CRBNBRD4CREBBPPIK3CGCDK8
SCHEMBL14889351 0.88 PARP10 (0.52) CDK8PARP10PARP11MAPKAPK2LRRK2
SCHEMBL14889350 0.88 PARP10 (0.52) CDK8PARP10PARP11MAPKAPK2LRRK2
SCHEMBL2598100 0.88 PARP10 (0.52) CDK8PARP10PARP11MAPKAPK2LRRK2
SCHEMBL2598099 0.88 PARP10 (0.52) CDK8PARP10PARP11MAPKAPK2LRRK2
Hydrochloric Acid SCHEMBL2598188 0.87 PARP10 (0.51) CDK8PARP10PARP11MAPKAPK2LRRK2
Hydrochloric Acid SCHEMBL2598189 0.87 PARP10 (0.51) CDK8PARP10PARP11MAPKAPK2LRRK2
Hydrochloric Acid SCHEMBL1802164 0.87 PARP10 (0.51) CDK8PARP10PARP11MAPKAPK2LRRK2
Hydrochloric Acid SCHEMBL1802163 0.87 PARP10 (0.51) CDK8PARP10PARP11MAPKAPK2LRRK2

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 CRBN 4076/4885BRD4 2085/4885CREBBP 3478/4885

“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.