SCHEMBL2013454

SCHEMBL2013454

O=C1CC2CNCCN2c2cc(COc3ccc(F)cc3)ccc2N1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.47
HTR2C P28335 13/20 0.42
HTR6 P50406 2/20 0.42
MAOA P21397 2/20 0.40
HTR2B P41595 9/20 0.39
HTR2A P28223 7/20 0.38
CREBBP Q92793 1/20 0.37
PTPN1 P18031 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
SCHEMBL2017862 0.90 CREBBP (0.43) MAOBHTR2CHTR6MAOAHTR2B
SCHEMBL2014966 0.90 SLC6A2 (0.45) MAOBHTR2CHTR6MAOAHTR2B
SCHEMBL693335 0.88 MAOB (0.46) MAOBHTR2CHTR6MAOAHTR2B
SCHEMBL2016723 0.87 HTR2C (0.43) HTR2CHTR6HTR2BHTR2A
SCHEMBL2014689 0.84 CREBBP (0.53) MAOBMAOACREBBP
SCHEMBL692433 0.83 HTR2C (0.54) HTR2CHTR6HTR2BHTR2A
SCHEMBL2014779 0.82 HTR2C (0.43) HTR2CHTR6HTR2BHTR2A
SCHEMBL2016944 0.81 HTR2C (0.48) HTR2CHTR6HTR2BHTR2A
SCHEMBL693785 0.81 HTR1A (0.43) MAOBHTR2CHTR6HTR2BHTR2A
SCHEMBL692900 0.81 MAOB (0.42) MAOBHTR2CHTR6MAOAHTR2B

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 26 patents — showing the first 20. 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 claimed
EP-3150607-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF AbbVie Inc. (US) 2017-04-05 EP claimed
EP-2421870-B1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBVIE INC (US) 2016-03-09 EP claimed
EP-2522671-B1 Modulators of 5-HT receptors and methods of use thereof ABBVIE INC (US) 2016-01-20 EP claimed
US-20150175611-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF AbbVie Deutschland GmbH & Co. KG (DE) 2015-06-25 US claimed
US-20130310368-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBVIE INC. 2013-11-21 US claimed
US-8546377-B2 Modulators of 5-HT receptors and methods of use thereof ABBVIE INC. (US) 2013-10-01 US claimed
EP-2560973-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF Abbvie Inc. (US) 2013-02-27 EP claimed
EP-2522671-A2 Modulators of 5-HT receptors and methods of use thereof Abbott Laboratories (US) 2012-11-14 EP claimed
WO-2011133182-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2011-10-27 WO claimed
US-20110130382-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2011-06-02 US claimed
US-20100273767-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-10-28 US claimed
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
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 MAOB 194/4885HTR2C 8/4885HTR6 17/4885
US-20110130382-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR4, HTR1A, HTR1D MAOB 194/4885HTR2C 8/4885HTR6 17/4885
US-20180127423-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR4, HTR1A, HTR1D MAOB 194/4885HTR2C 8/4885HTR6 17/4885
US-20100273767-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR4, HTR1A, HTR1D MAOB 194/4885HTR2C 8/4885HTR6 17/4885
US-20150175611-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR4, HTR1A, HTR1D MAOB 194/4885HTR2C 8/4885HTR6 17/4885

“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.