SCHEMBL2017873

SCHEMBL2017873

CC(C)(C)OC(=O)N1CCN2c3cc(/C=C/c4cc(F)cc(F)c4)ccc3NC(=O)CC2C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 1/20 0.38
HDAC6 Q9UBN7 1/20 0.36
USP30 Q70CQ3 2/20 0.36
F13A1 P00488 1/20 0.36
TGM2 P21980 1/20 0.36
TGM1 P22735 1/20 0.36
SCN9A Q15858 1/20 0.36
ADAMTS5 Q9UNA0 2/20 0.36
GPR119 Q8TDV5 2/20 0.35
PAK1 Q13153 1/20 0.35
SMARCA2 P51531 1/20 0.35
SMARCA4 P51532 1/20 0.35
PBRM1 Q86U86 1/20 0.35
HDAC1 Q13547 1/20 0.34
HRH3 Q9Y5N1 2/20 0.34
MMP2 P08253 1/20 0.34
MMP13 P45452 1/20 0.34
MMP14 P50281 1/20 0.34
BRD4 O60885 1/20 0.33
CREBBP Q92793 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
SCHEMBL2017875 1.00 CRBN (0.38) CRBNHDAC6USP30F13A1TGM2
SCHEMBL2017980 0.93 CRBN (0.40) CRBNHDAC6USP30SCN9AADAMTS5
SCHEMBL2017983 0.93 CRBN (0.40) CRBNHDAC6USP30SCN9AADAMTS5
SCHEMBL2017525 0.89 CRBN (0.41) CRBNHDAC6USP30SCN9AGPR119
SCHEMBL2017520 0.89 CRBN (0.41) CRBNHDAC6USP30SCN9AGPR119
SCHEMBL2016985 0.89 SCN9A (0.39) CRBNHDAC6USP30SCN9AADAMTS5
SCHEMBL2016988 0.89 SCN9A (0.39) CRBNHDAC6USP30SCN9AADAMTS5
SCHEMBL2017220 0.88 PAK1 (0.42) CRBNHDAC6USP30SCN9AGPR119
SCHEMBL2015883 0.85 HDAC6 (0.39) CRBNHDAC6USP30SCN9AGPR119
SCHEMBL2015882 0.85 HDAC6 (0.39) CRBNHDAC6USP30SCN9AGPR119

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 13 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
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 CRBN 2432/4885HDAC6 2270/4885USP30 4276/4885
US-20110130382-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR4, HTR1A, HTR1D CRBN 2432/4885HDAC6 2270/4885USP30 4276/4885
US-20180127423-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR4, HTR1A, HTR1D CRBN 2432/4885HDAC6 2270/4885USP30 4276/4885
US-20100273767-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR4, HTR1A, HTR1D CRBN 2432/4885HDAC6 2270/4885USP30 4276/4885
US-20150175611-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR4, HTR1A, HTR1D CRBN 2432/4885HDAC6 2270/4885USP30 4276/4885

“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.