SCHEMBL2016988

SCHEMBL2016988

CC(C)(C)OC(=O)N1CCN2c3cc(C=Cc4ccccc4F)ccc3NC(=O)CC2C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
HDAC6 Q9UBN7 2/20 0.38
CRBN Q96SW2 1/20 0.38
KDM1A O60341 1/20 0.38
MAOA P21397 1/20 0.38
USP30 Q70CQ3 2/20 0.37
SMARCA2 P51531 1/20 0.37
SMARCA4 P51532 1/20 0.37
PBRM1 Q86U86 1/20 0.37
SIGMAR1 Q99720 1/20 0.36
S1PR5 Q9H228 1/20 0.35
HDAC8 Q9BY41 1/20 0.34
TNKS O95271 1/20 0.34
PARP1 P09874 1/20 0.34
TNKS2 Q9H2K2 1/20 0.34
ADAMTS5 Q9UNA0 1/20 0.34
GPR119 Q8TDV5 1/20 0.34
CHRM2 P08172 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
SCHEMBL2016985 1.00 SCN9A (0.39) SCN9AALDH1A1LMNAHDAC6CRBN
SCHEMBL2015883 0.91 HDAC6 (0.39) SCN9AHDAC6CRBNUSP30SMARCA2
SCHEMBL2015882 0.91 HDAC6 (0.39) SCN9AHDAC6CRBNUSP30SMARCA2
SCHEMBL2017520 0.90 CRBN (0.41) SCN9AHDAC6CRBNUSP30SMARCA2
SCHEMBL2017525 0.90 CRBN (0.41) SCN9AHDAC6CRBNUSP30SMARCA2
SCHEMBL2017980 0.89 CRBN (0.40) SCN9AHDAC6CRBNMAOAUSP30
SCHEMBL2017983 0.89 CRBN (0.40) SCN9AHDAC6CRBNMAOAUSP30
SCHEMBL2017875 0.89 CRBN (0.38) SCN9AHDAC6CRBNUSP30SMARCA2
SCHEMBL2017873 0.89 CRBN (0.38) SCN9AHDAC6CRBNUSP30SMARCA2
SCHEMBL2017220 0.84 PAK1 (0.42) SCN9AHDAC6CRBNUSP30SMARCA2

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 SCN9A 891/4885ALDH1A1 1176/4885LMNA 1849/4885
US-20110130382-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR4, HTR1A, HTR1D SCN9A 891/4885ALDH1A1 1176/4885LMNA 1849/4885
US-20180127423-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR4, HTR1A, HTR1D SCN9A 891/4885ALDH1A1 1176/4885LMNA 1849/4885
US-20100273767-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR4, HTR1A, HTR1D SCN9A 891/4885ALDH1A1 1176/4885LMNA 1849/4885
US-20150175611-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR4, HTR1A, HTR1D SCN9A 891/4885ALDH1A1 1176/4885LMNA 1849/4885

“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.