SCHEMBL2014317

SCHEMBL2014317

CC(C)(C)OC(=O)N1CCN2c3cc(Cl)c(Cl)cc3NCCC2C1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
THRB P10828 1/20 0.43
HTR2C P28335 4/20 0.42
USP30 Q70CQ3 2/20 0.41
MAPK1 P28482 1/20 0.41
SMARCA2 P51531 1/20 0.39
SMARCA4 P51532 1/20 0.39
PBRM1 Q86U86 1/20 0.39
CCNT1 O60563 1/20 0.38
CDK9 P50750 1/20 0.38
CNR1 P21554 1/20 0.38
POLB P06746 1/20 0.37
GPR119 Q8TDV5 1/20 0.37
STS P08842 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TP53 P04637 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
SCHEMBL2016217 0.87 CNR1 (0.44) MAPTUSP30MAPK1SMARCA2SMARCA4
SCHEMBL16819094 0.84 HTR2C (0.47) MAPTHTR2CTP53
SCHEMBL2012592 0.84 KDM4E (0.40) KDM4EMAPTTHRBHTR2CUSP30
SCHEMBL2012594 0.84 KDM4E (0.40) KDM4EMAPTTHRBHTR2CUSP30
SCHEMBL2013371 0.83 FPR2 (0.45) KDM4EMAPTTHRBUSP30MAPK1
SCHEMBL31543797 0.83 FPR2 (0.45) KDM4EMAPTTHRBUSP30MAPK1
SCHEMBL2016857 0.82 MAPK1 (0.53) KDM4EMAPTTHRBUSP30MAPK1
SCHEMBL24187299 0.81 SIGMAR1 (0.43) USP30SMARCA2SMARCA4PBRM1CNR1
SCHEMBL23513098 0.79 USP30 (0.40) KDM4EMAPTTHRBUSP30MAPK1
SCHEMBL29586410 0.79 MAPT (0.46) KDM4EMAPTTHRBUSP30MAPK1

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 11 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
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 (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-20130310368-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR4, HTR1A, HTR1D KDM4E 1162/4885MAPT 4016/4885THRB 291/4885
US-20110130382-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR4, HTR1A, HTR1D KDM4E 1162/4885MAPT 4016/4885THRB 291/4885
US-20180127423-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR4, HTR1A, HTR1D KDM4E 1162/4885MAPT 4016/4885THRB 291/4885
US-20100273767-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR4, HTR1A, HTR1D KDM4E 1162/4885MAPT 4016/4885THRB 291/4885

“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.