SCHEMBL2017520

SCHEMBL2017520

CC(C)(C)OC(=O)N1CCN2c3cc(/C=C/c4ccccc4)ccc3NC(=O)CC2C1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 1/20 0.41
USP30 Q70CQ3 4/20 0.40
HDAC6 Q9UBN7 2/20 0.39
SMARCA2 P51531 1/20 0.39
SMARCA4 P51532 1/20 0.39
PBRM1 Q86U86 1/20 0.39
SIGMAR1 Q99720 1/20 0.37
HDAC1 Q13547 1/20 0.37
BACE1 P56817 3/20 0.37
SCN9A Q15858 1/20 0.37
HDAC8 Q9BY41 1/20 0.36
GPR119 Q8TDV5 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL2017525 1.00 CRBN (0.41) CRBNUSP30HDAC6SMARCA2SMARCA4
SCHEMBL2017983 0.91 CRBN (0.40) CRBNUSP30HDAC6SMARCA2SMARCA4
SCHEMBL2017980 0.91 CRBN (0.40) CRBNUSP30HDAC6SMARCA2SMARCA4
SCHEMBL2016985 0.90 SCN9A (0.39) CRBNUSP30HDAC6SMARCA2SMARCA4
SCHEMBL2016988 0.90 SCN9A (0.39) CRBNUSP30HDAC6SMARCA2SMARCA4
SCHEMBL2017875 0.89 CRBN (0.38) CRBNUSP30HDAC6SMARCA2SMARCA4
SCHEMBL2017873 0.89 CRBN (0.38) CRBNUSP30HDAC6SMARCA2SMARCA4
SCHEMBL2015882 0.88 HDAC6 (0.39) CRBNUSP30HDAC6SMARCA2SMARCA4
SCHEMBL2015883 0.88 HDAC6 (0.39) CRBNUSP30HDAC6SMARCA2SMARCA4
SCHEMBL3620108 0.87 MAOA (0.38) SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180127423-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBVIE DEUTSCHLAND (DE) 2018-05-10 US disclosed
EP-3150607-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF AbbVie Inc. (US) 2017-04-05 EP disclosed
EP-2560973-B1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBVIE INC (US) 2016-11-16 EP disclosed
EP-2421870-B1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBVIE INC (US) 2016-03-09 EP disclosed
EP-2522671-B1 Modulators of 5-HT receptors and methods of use thereof ABBVIE INC (US) 2016-01-20 EP disclosed
US-8846663-B2 Modulators of 5-HT receptors and methods of use thereof ABBVIE INC. (US) 2014-09-30 US disclosed
US-20130310368-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBVIE INC. 2013-11-21 US disclosed
US-8546377-B2 Modulators of 5-HT receptors and methods of use thereof ABBVIE INC. (US) 2013-10-01 US disclosed
EP-2522671-A2 Modulators of 5-HT receptors and methods of use thereof Abbott Laboratories (US) 2012-11-14 EP disclosed
US-20110130382-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2011-06-02 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 (3 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-20130310368-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR4, HTR1A, HTR1D CRBN 2432/4885USP30 4276/4885HDAC6 2270/4885
US-20110130382-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR4, HTR1A, HTR1D CRBN 2432/4885USP30 4276/4885HDAC6 2270/4885
US-20180127423-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR4, HTR1A, HTR1D CRBN 2432/4885USP30 4276/4885HDAC6 2270/4885

“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.