SCHEMBL2015982

SCHEMBL2015982

O=C1CC2CN(Cc3ccccc3)CCN2c2cc(C(F)(F)F)ccc2N1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
DRD2 P14416 4/20 0.45
CHRM3 P20309 3/20 0.43
MEN1 O00255 2/20 0.42
LMNA P02545 1/20 0.42
DRD4 P21917 1/20 0.42
DRD3 P35462 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ACHE P22303 2/20 0.41
BCHE P06276 1/20 0.41
BACE1 P56817 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
SRPK1 Q96SB4 1/20 0.41
S1PR5 Q9H228 2/20 0.41
CHRM2 P08172 2/20 0.41
S1PR1 P21453 1/20 0.41

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
SCHEMBL691879 0.85 DRD2 (0.48) DRD2CHRM3DRD4DRD3SIGMAR1
SCHEMBL1351177 0.85 DRD2 (0.55) DRD2CHRM3LMNADRD4DRD3
SCHEMBL691755 0.84 DRD2 (0.47) DRD2CHRM3DRD4DRD3ALDH1A1
SCHEMBL2014934 0.84 DRD2 (0.47) DRD2CHRM3DRD4DRD3ALDH1A1
SCHEMBL30565539 0.82 CHRM4 (0.43) KMT2ADRD2CHRM3MEN1LMNA
SCHEMBL26915009 0.82 CHRM4 (0.43) KMT2ADRD2CHRM3MEN1LMNA
SCHEMBL2019817 0.82 DRD2 (0.44) DRD2CHRM3DRD4DRD3MAPT
SCHEMBL692318 0.82 SIGMAR1 (0.46) DRD2CHRM3DRD4DRD3SIGMAR1
SCHEMBL2014023 0.82 SIGMAR1 (0.46) DRD2CHRM3DRD4DRD3SIGMAR1
SCHEMBL2012797 0.81 DRD2 (0.43) KMT2ADRD2CHRM3DRD4DRD3

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 13 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-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 KMT2A 2053/4885DRD2 73/4885CHRM3 31/4885
US-20110130382-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR4, HTR1A, HTR1D KMT2A 2053/4885DRD2 73/4885CHRM3 31/4885
US-20180127423-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR4, HTR1A, HTR1D KMT2A 2053/4885DRD2 73/4885CHRM3 31/4885
US-20100273767-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR4, HTR1A, HTR1D KMT2A 2053/4885DRD2 73/4885CHRM3 31/4885
US-20150175611-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR4, HTR1A, HTR1D KMT2A 2053/4885DRD2 73/4885CHRM3 31/4885

“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.