SCHEMBL2014023

SCHEMBL2014023

COc1ccc2c(c1)N1CCN(Cc3ccccc3)C[C@@H]1CC(=O)N2

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.46
CHRM3 P20309 3/20 0.46
DRD2 P14416 3/20 0.45
CHRM2 P08172 2/20 0.43
SCN5A Q14524 1/20 0.42
SCN9A Q15858 1/20 0.42
HRH2 P25021 1/20 0.42
DRD4 P21917 1/20 0.42
DRD3 P35462 1/20 0.42
HTR1A P08908 1/20 0.42
HTR7 P34969 1/20 0.42
HTR6 P50406 1/20 0.42
PDE5A O76074 2/20 0.42
PDE11A Q9HCR9 2/20 0.42

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
SCHEMBL692318 1.00 SIGMAR1 (0.46) SIGMAR1CHRM3DRD2CHRM2SCN5A
SCHEMBL2020085 0.90 MAOA (0.44) DRD2DRD4DRD3
SCHEMBL692803 0.89 CREBBP (0.52) DRD2DRD4DRD3
SCHEMBL2012797 0.87 DRD2 (0.43) CHRM3DRD2CHRM2DRD4DRD3
SCHEMBL691879 0.85 DRD2 (0.48) SIGMAR1CHRM3DRD2CHRM2DRD4
SCHEMBL1351177 0.85 DRD2 (0.55) SIGMAR1CHRM3DRD2CHRM2DRD4
SCHEMBL691755 0.84 DRD2 (0.47) CHRM3DRD2CHRM2DRD4DRD3
SCHEMBL2014934 0.84 DRD2 (0.47) CHRM3DRD2CHRM2DRD4DRD3
SCHEMBL2015982 0.82 KMT2A (0.47) SIGMAR1CHRM3DRD2CHRM2DRD4
SCHEMBL694817 0.81 DRD2 (0.47) CHRM3DRD2CHRM2DRD4DRD3

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 SIGMAR1 77/4885CHRM3 31/4885DRD2 73/4885
US-20110130382-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR4, HTR1A, HTR1D SIGMAR1 77/4885CHRM3 31/4885DRD2 73/4885
US-20180127423-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR4, HTR1A, HTR1D SIGMAR1 77/4885CHRM3 31/4885DRD2 73/4885
US-20100273767-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR4, HTR1A, HTR1D SIGMAR1 77/4885CHRM3 31/4885DRD2 73/4885
US-20150175611-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR4, HTR1A, HTR1D SIGMAR1 77/4885CHRM3 31/4885DRD2 73/4885

“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.