SCHEMBL2015883

SCHEMBL2015883

CC(C)(C)OC(=O)N1CCN2c3cc(C=Cc4ccccc4C(F)(F)F)ccc3NC(=O)CC2C1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.39
CRBN Q96SW2 1/20 0.37
HDAC8 Q9BY41 1/20 0.36
USP30 Q70CQ3 2/20 0.35
SMARCA2 P51531 1/20 0.35
SMARCA4 P51532 1/20 0.35
PBRM1 Q86U86 1/20 0.35
SFRP1 Q8N474 3/20 0.35
SCN9A Q15858 1/20 0.35
TRPV1 Q8NER1 1/20 0.34
TACR1 P25103 1/20 0.34
SIGMAR1 Q99720 1/20 0.33
GPR119 Q8TDV5 1/20 0.33
PDK2 Q15119 1/20 0.33
BTK Q06187 1/20 0.33
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33

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
SCHEMBL2015882 1.00 HDAC6 (0.39) HDAC6CRBNHDAC8USP30SMARCA2
SCHEMBL2016988 0.91 SCN9A (0.39) HDAC6CRBNHDAC8USP30SMARCA2
SCHEMBL2016985 0.91 SCN9A (0.39) HDAC6CRBNHDAC8USP30SMARCA2
SCHEMBL2017520 0.88 CRBN (0.41) HDAC6CRBNHDAC8USP30SMARCA2
SCHEMBL2017525 0.88 CRBN (0.41) HDAC6CRBNHDAC8USP30SMARCA2
SCHEMBL2017980 0.85 CRBN (0.40) HDAC6CRBNHDAC8USP30SMARCA2
SCHEMBL2017983 0.85 CRBN (0.40) HDAC6CRBNHDAC8USP30SMARCA2
SCHEMBL2017875 0.85 CRBN (0.38) HDAC6CRBNUSP30SMARCA2SMARCA4
SCHEMBL2017873 0.85 CRBN (0.38) HDAC6CRBNUSP30SMARCA2SMARCA4
SCHEMBL2017220 0.80 PAK1 (0.42) HDAC6CRBNUSP30SMARCA2SMARCA4

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 14 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
US-9701679-B2 Modulators of 5-HT receptors and methods of use thereof Abb Vie Deutschland GmbH & Co. KG (DE) 2017-07-11 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-20150175611-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF AbbVie Deutschland GmbH & Co. KG (DE) 2015-06-25 US 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
US-8518933-B2 Modulators of 5-HT receptors and methods of use thereof ABBVIE INC. (US) 2013-08-27 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
US-20100273767-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-10-28 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 (5 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 HDAC6 2270/4885CRBN 2432/4885HDAC8 1493/4885
US-20110130382-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR4, HTR1A, HTR1D HDAC6 2270/4885CRBN 2432/4885HDAC8 1493/4885
US-20180127423-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR4, HTR1A, HTR1D HDAC6 2270/4885CRBN 2432/4885HDAC8 1493/4885
US-20100273767-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR4, HTR1A, HTR1D HDAC6 2270/4885CRBN 2432/4885HDAC8 1493/4885
US-20150175611-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR4, HTR1A, HTR1D HDAC6 2270/4885CRBN 2432/4885HDAC8 1493/4885

“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.