SCHEMBL133548

SCHEMBL133548

[CH]1COCc2ccccc21

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
MAOA P21397 2/20 0.32
MAOB P27338 2/20 0.32
HTR2C P28335 1/20 0.32
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
PARP1 P09874 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL2347781 0.77 MAOA (0.30) MAOAMAOB
SCHEMBL14591143 0.77 PARP1 (0.36) TSHRMAOAMAOBHTR2CCA1
SCHEMBL27888014 0.73
SCHEMBL29471383 0.70
SCHEMBL59871 0.70
Ammonia Solution, Strong SCHEMBL23320033 0.68 MAOA (0.40) TSHRMAOAMAOBHTR2CCA1
SCHEMBL27721343 0.68
SCHEMBL16439994 0.68
SCHEMBL27422507 0.66 PNMT (0.35) HTR2CPARP1
SCHEMBL2075437 0.66 MAOA (0.39) TSHRMAOAMAOBHTR2CCA1

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 259 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160046574-A1 SEROTONIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2016-02-18 US claimed
US-20140038943-A1 SEROTONIN RECEPTOR MODULATOR JANSSEN PHARMACEUTICA NV (US) 2014-02-06 US claimed
US-8642583-B2 Serotonin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2014-02-04 US claimed
US-8283357-B2 Cycloalkylcarbamate benzamide aniline HDAC inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-10-09 US claimed
EP-2440517-A2 CYCLOALKYLCARBAMATE BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-04-18 EP claimed
US-8039455-B2 Macrocyclic compounds useful as BACE inhibitors NOVARTIS AG (CH) 2011-10-18 US claimed
US-8008250-B2 1-Hydroxy-2-(3-isopropyl-benzylamino)-ethyl]-9,10-dimethyl-2-oxa-9,12-diaza-bicyclo[13.3.1]nonadeca-1(19),15,17-triene-8,11-dione; secretase inhibitor; neurological, vascular disorders, beta-amyloid generation/aggregation; Alzheimer's disease, Down's Syndrome, cognitive impairment, amyloid neuropathies NOVARTIS AG (CH) 2011-08-30 US claimed
US-20110207714-A1 SEROTONIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-08-25 US claimed
WO-2010144378-A2 CYCLOALKYLCARBAMATE BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS GILEAD COLORADO, INC. (US) 2010-12-16 WO claimed
US-20100311794-A1 CYCLOALKYLCARBAMATE BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2010-12-09 US claimed
WO-2007077004-A1 MACROCYCLIC COMPOUNDS USEFUL AS BACE INHIBITORS NOVARTIS AG (CH) 2007-07-12 WO claimed
JP-2007510002-A 2007-04-19 JP claimed
US-20070072792-A1 Macrocyclic lactams and pharmaceutical use thereof NOVARTIS AG (CH) 2007-03-29 US claimed
US-20070015781-A1 Certain substituted spirocyclic lactams and use thereof as pharmaceuticals AUBERSON YVES 2007-01-18 US claimed
EP-1682521-A1 MACROCYCLIC LACTAMS AND PHARMACEUTICAL USE THEREOF Novartis AG (CH) 2006-07-26 EP claimed
WO-2006074950-A1 MACROCYCLIC COMPOUNDS USEFUL AS BACE INHIBITORS NOVARTIS AG (CH) 2006-07-20 WO claimed
WO-2006074940-A2 MACROCYCLIC COMPOUNDS AND COMPOSITIONS USEFUL AS BACE INHIBITORS NOVARTIS AG (CH) 2006-07-20 WO claimed
EP-1670803-A1 CERTAIN SUBSTITUTED SPIROCYCLIC LACTAMS AND USE THEREOF AS PHARMACEUTICALS Novartis AG (CH) 2006-06-21 EP claimed
WO-2005049585-A1 MACROCYCLIC LACTAMS AND PHARMACEUTICAL USE THEREOF NOVARTIS AG (CH) 2005-06-02 WO claimed
WO-2005035535-A1 CERTAIN SUBSTITUTED SPIROCYCLIC LACTAMS AND USE THEREOF AS PHARMACEUTICALS NOVARTIS AG (CH) 2005-04-21 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-20140038943-A1 SEROTONIN RECEPTOR MODULATOR HTR2C, HTR2A, HTR1A TSHR 276/4885MAOA 151/4885MAOB 90/4885
US-20070072792-A1 Macrocyclic lactams and pharmaceutical use thereof RPS11, MRPL21, RPS4Y1 TSHR 1165/4885MAOA 1672/4885MAOB 1066/4885
US-20070015781-A1 Certain substituted spirocyclic lactams and use thereof as pharmaceuticals STS, RPS6KA5, RPIA TSHR 1154/4885MAOA 2005/4885MAOB 2234/4885
US-20160046574-A1 SEROTONIN RECEPTOR MODULATORS HTR2C, HTR2A, HTR1A TSHR 276/4885MAOA 131/4885MAOB 78/4885
US-20100311794-A1 CYCLOALKYLCARBAMATE BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS HDAC1, HDAC5, HDAC3 TSHR 4008/4885MAOA 671/4885MAOB 559/4885
US-20110207714-A1 SEROTONIN RECEPTOR MODULATORS HTR1A, HTR2A, HTR2C TSHR 278/4885MAOA 61/4885MAOB 41/4885

“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.