SCHEMBL1808571

SCHEMBL1808571

O=C(O)N1C[C@@H]2CCOc3ccc(Cl)cc3[C@H]2C1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.46
DRD3 P35462 2/20 0.46
MAP3K14 Q99558 1/20 0.42
HRH2 P25021 1/20 0.41
ADRA2A P08913 2/20 0.39
HCRTR2 O43614 1/20 0.38
HSD11B1 P28845 1/20 0.37
CHRM2 P08172 1/20 0.37
HTR1A P08908 1/20 0.37
GABRA1 P14867 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
DRD1 P21728 1/20 0.37
DRD4 P21917 1/20 0.37
SLC6A2 P23975 1/20 0.37
ADRA1D P25100 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
SLC6A4 P31645 1/20 0.37
ADRA1A P35348 1/20 0.37

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
SCHEMBL1806680 0.85 DRD2 (0.46) DRD2DRD3ADRA2AHCRTR2MAPT
SCHEMBL1806682 0.85 DRD2 (0.46) DRD2DRD3ADRA2AHCRTR2MAPT
SCHEMBL2599058 0.85 DRD2 (0.46) DRD2DRD3ADRA2AHCRTR2MAPT
SCHEMBL1806683 0.85 DRD2 (0.46) DRD2DRD3ADRA2AHCRTR2MAPT
SCHEMBL1802426 0.83 USP30 (0.40) DRD2DRD3HTR1AHTR2BKDM4C
SCHEMBL1802430 0.83 USP30 (0.40) DRD2DRD3HTR1AHTR2BKDM4C
SCHEMBL2598877 0.83 USP30 (0.40) DRD2DRD3HTR1AHTR2BKDM4C
SCHEMBL1802427 0.83 USP30 (0.40) DRD2DRD3HTR1AHTR2BKDM4C
SCHEMBL860735 0.82 DRD2 (0.43) DRD2DRD3HRH2HSD11B1CHRM2
SCHEMBL860736 0.82 DRD2 (0.43) DRD2DRD3HRH2HSD11B1CHRM2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180346484-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBVIE DEUTSCHLAND (DE) 2018-12-06 US disclosed
US-9879033-B2 Modulators of 5-HT receptors and methods of use thereof AbbVie Deutschland GmbH & Co. KG (DE) 2018-01-30 US disclosed
US-20160096851-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBVIE INC. 2016-04-07 US disclosed
US-9187483-B2 Modulators of 5-HT receptors and methods of use thereof ABBVIE INC. (US) 2015-11-17 US disclosed
EP-2641907-B1 Preparation of modulators of 5-HT receptors ABBVIE INC (US) 2015-01-28 EP disclosed
US-8846951-B2 Modulators of 5-HT receptors and methods of use thereof ABBVIE INC. (US) 2014-09-30 US disclosed
EP-2432783-B1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LAB (US) 2013-05-01 EP disclosed
US-20110118231-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2011-05-19 US disclosed
US-20100298292-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-11-25 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 (4 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-20160096851-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR3A, HTR5A, HTR3C DRD2 50/4885DRD3 74/4885MAP3K14 2908/4885
US-20100298292-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR3A, HTR5A, HTR3C DRD2 50/4885DRD3 74/4885MAP3K14 2908/4885
US-20110118231-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR3A, HTR5A, HTR3C DRD2 50/4885DRD3 74/4885MAP3K14 2908/4885
US-20180346484-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR3A, HTR5A, HTR3C DRD2 50/4885DRD3 74/4885MAP3K14 2908/4885

“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.