SCHEMBL2017178

SCHEMBL2017178

O=C1C[C@@H]2CN(Cc3ccccc3)CCN2c2cccc(F)c2N1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.53
CHRM3 P20309 7/20 0.46
CHRM2 P08172 6/20 0.46
DRD4 P21917 3/20 0.45
DRD3 P35462 3/20 0.45
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
TACR1 P25103 3/20 0.40
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
OPRL1 P41146 1/20 0.39
HTR1A P08908 1/20 0.38
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38

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
SCHEMBL2015841 1.00 DRD2 (0.53) DRD2CHRM3CHRM2DRD4DRD3
SCHEMBL693753 0.91 DRD2 (0.46) DRD2CHRM3CHRM2DRD4DRD3
SCHEMBL2015062 0.89 DRD2 (0.53) DRD2CHRM3CHRM2DRD4DRD3
SCHEMBL2013952 0.89 DRD2 (0.53) DRD2CHRM3CHRM2DRD4DRD3
SCHEMBL1351177 0.84 DRD2 (0.55) DRD2CHRM3CHRM2DRD4DRD3
SCHEMBL2016632 0.82 DRD2 (0.47) DRD2CHRM3CHRM2DRD4DRD3
SCHEMBL2017655 0.82 DRD2 (0.47) DRD2CHRM3CHRM2DRD4DRD3
SCHEMBL691879 0.80 DRD2 (0.48) DRD2CHRM3CHRM2DRD4DRD3
SCHEMBL2019817 0.79 DRD2 (0.44) DRD2CHRM3CHRM2DRD4DRD3
SCHEMBL2014167 0.79 DRD2 (0.48) DRD2CHRM3CHRM2DRD4DRD3

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 DRD2 73/4885CHRM3 31/4885CHRM2 28/4885
US-20110130382-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR4, HTR1A, HTR1D DRD2 73/4885CHRM3 31/4885CHRM2 28/4885
US-20180127423-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR4, HTR1A, HTR1D DRD2 73/4885CHRM3 31/4885CHRM2 28/4885
US-20100273767-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR4, HTR1A, HTR1D DRD2 73/4885CHRM3 31/4885CHRM2 28/4885
US-20150175611-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR4, HTR1A, HTR1D DRD2 73/4885CHRM3 31/4885CHRM2 28/4885

“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.