SCHEMBL2013375

SCHEMBL2013375

CC(C)(C)OC(=O)N1CCN2c3ccccc3NC(=O)C[C@H]2C1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.45
MAPK1 P28482 1/20 0.44
SCN9A Q15858 1/20 0.43
USP30 Q70CQ3 2/20 0.43
SMARCA2 P51531 1/20 0.42
SMARCA4 P51532 1/20 0.42
PBRM1 Q86U86 1/20 0.42
CRBN Q96SW2 1/20 0.42
BACE1 P56817 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
GPR119 Q8TDV5 1/20 0.40
BRD4 O60885 2/20 0.40
CREBBP Q92793 2/20 0.40

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
SCHEMBL1350836 1.00 SIGMAR1 (0.45) SIGMAR1MAPK1SCN9AUSP30SMARCA2
SCHEMBL2017798 0.86 ESR2 (0.42) SIGMAR1USP30SMARCA2SMARCA4PBRM1
SCHEMBL2015044 0.86 CRBN (0.42) SIGMAR1USP30SMARCA2SMARCA4PBRM1
SCHEMBL2015043 0.86 CRBN (0.42) SIGMAR1USP30SMARCA2SMARCA4PBRM1
SCHEMBL2018072 0.86 ESR2 (0.42) SIGMAR1USP30SMARCA2SMARCA4PBRM1
SCHEMBL2014200 0.86 ESR2 (0.42) SIGMAR1USP30SMARCA2SMARCA4PBRM1
SCHEMBL2017520 0.85 CRBN (0.41) SIGMAR1MAPK1SCN9AUSP30SMARCA2
SCHEMBL2017525 0.85 CRBN (0.41) SIGMAR1MAPK1SCN9AUSP30SMARCA2
SCHEMBL2018122 0.85 FPR2 (0.43) SIGMAR1SCN9AUSP30SMARCA2SMARCA4
SCHEMBL2017721 0.85 NR1H2 (0.43) SIGMAR1SCN9AUSP30SMARCA2SMARCA4

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 SIGMAR1 77/4885MAPK1 2664/4885SCN9A 891/4885
US-20110130382-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR4, HTR1A, HTR1D SIGMAR1 77/4885MAPK1 2664/4885SCN9A 891/4885
US-20180127423-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR4, HTR1A, HTR1D SIGMAR1 77/4885MAPK1 2664/4885SCN9A 891/4885

“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.