SCHEMBL340943

SCHEMBL340943

O=C1OC2(CCN(CCC3OCCO3)CC2)C(Cc2ccc(F)cc2)N1Cc1ccc(OC(F)F)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.37
CYP3A4 P08684 3/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HCRTR1 O43613 3/20 0.36
HCRTR2 O43614 3/20 0.36
KCNH2 Q12809 2/20 0.35
FFAR1 O14842 2/20 0.33
CCR5 P51681 1/20 0.32
SSTR5 P35346 1/20 0.32
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32
DRD2 P14416 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 1/20 0.32
GRIN2B Q13224 1/20 0.32
GRIN2C Q14957 1/20 0.32
GRIN3A Q8TCU5 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
TACR1 P25103 1/20 0.32

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
SCHEMBL340226 0.90 LIPE (0.40) CYP3A4HCRTR1HCRTR2KCNH2DRD2
SCHEMBL342703 0.89 HTR2A (0.39) CYP2C19KCNH2FFAR1POLB
SCHEMBL340821 0.88 SIGMAR1 (0.40) FFAR1SIGMAR1
SCHEMBL341173 0.88 MMP1 (0.39) HCRTR1HCRTR2KCNH2FFAR1CCR5
SCHEMBL342349 0.86 HCRTR2 (0.43) HSD11B1CYP3A4CYP2C9CYP2C19HCRTR1
SCHEMBL342155 0.86 HCRTR1 (0.41) HSD11B1CYP3A4CYP2C9CYP2C19HCRTR1
SCHEMBL341784 0.86 ALDH1A1 (0.43) HCRTR1HCRTR2KCNH2DRD2POLB
SCHEMBL2768974 0.86 HTR2A (0.38) CYP2C19KCNH2FFAR1POLB
SCHEMBL340434 0.84 HCRTR1 (0.39) HSD11B1CYP3A4CYP2C9CYP2C19HCRTR1
SCHEMBL341940 0.82 HSD11B1 (0.42) HSD11B1CYP3A4CYP2C9CYP2C19HCRTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2983473-A2 PHARMACEUTICAL COMPOSITION COMPRISING AN AMPK ACTIVATOR AND A SEROTONERGIC AGENT AND METHODS OF USE THEREOF ALS Mountain Llc (US) 2016-02-17 EP claimed
US-20140350064-A1 PHARMACEUTICAL COMPOSITION COMPRISING AN AMPK ACTIVATOR AND A SEROTONERGIC AGENT AND METHODS OF USE THEREOF ALS MOUNTAIN LLC 2014-11-27 US claimed
WO-2014144130-A2 PHARMACEUTICAL COMPOSITION COMPRISING AN AMPK ACTIVATOR AND A SEROTONERGIC AGENT AND METHODS OF USE THEREOF ALS MOUNTAIN LLC (US) 2014-09-18 WO claimed
US-20120183600-A1 NOVEL COMPOSITION FOR TREATING METABOLIC SYNDROME AND OTHER CONDITIONS CHEN CHIEN-HUNG (US) 2012-07-19 US claimed
EP-1461339-B1 SPIROAZACYCLIC COMPOUNDS AS MONOAMINE RECEPTOR MODULATORS ACADIA PHARM INC (US) 2010-04-28 EP claimed
US-20090131418-A1 SPIROAZACYCLIC COMPOUNDS AS MONOAMINE RECEPTOR MODULATORS ACADIA PHARAMCEUTICALS, INC. (US) 2009-05-21 US claimed
US-7402590-B2 Spiroazacyclic compounds as monoamine receptor modulators ACADIA PHARMACEUTICALS INC. (US) 2008-07-22 US claimed
US-20070161621-A1 SPIROAZACYCLIC COMPOUNDS AS MONOAMINE RECEPTOR MODULATORS ACADIA PHARMACEUTICALS (US) 2007-07-12 US claimed
US-6911452-B2 Spiroazacyclic compounds as monoamine receptor modulators ACADIA PHARMACEUTICALS INC. (US) 2005-06-28 US claimed
US-20030166928-A1 Spiroazacyclic compounds as monoamine receptor modulators ACADIA PHARMACEUTICALS INC. 2003-09-04 US claimed
EP-2983473-A2 PHARMACEUTICAL COMPOSITION COMPRISING AN AMPK ACTIVATOR AND A SEROTONERGIC AGENT AND METHODS OF USE THEREOF ALS Mountain Llc (US) 2016-02-17 EP disclosed
US-20140350064-A1 PHARMACEUTICAL COMPOSITION COMPRISING AN AMPK ACTIVATOR AND A SEROTONERGIC AGENT AND METHODS OF USE THEREOF ALS MOUNTAIN LLC 2014-11-27 US disclosed
WO-2014144130-A2 PHARMACEUTICAL COMPOSITION COMPRISING AN AMPK ACTIVATOR AND A SEROTONERGIC AGENT AND METHODS OF USE THEREOF ALS MOUNTAIN LLC (US) 2014-09-18 WO disclosed
US-20120183600-A1 NOVEL COMPOSITION FOR TREATING METABOLIC SYNDROME AND OTHER CONDITIONS CHEN CHIEN-HUNG (US) 2012-07-19 US disclosed
US-20120122874-A1 COMBINATION OF A SEDATIVE AND A NEUROTRANSMITTER MODULATOR, AND METHODS FOR TREATING DEPRESSION Sunovion Inc. (US) 2012-05-17 US disclosed
US-20060199794-A1 Spiroazacyclic compounds as monoamine receptor modulators ACADIA PHARMACEUTICALS INC. 2006-09-07 US disclosed
US-20050256108-A1 Spiroazacyclic compounds as monoamine receptor modulators ACADIA PHARMACEUTICALS INC. 2005-11-17 US disclosed
US-20050176680-A1 Eszopiclone stimulates GABA receptors, and serotonin reuptake inhibitor (citalopram), norepinephrine reuptake inhibitor (desipramine), 5-HT2A modulator, or dopamine reuptake inhibitor (amineptine) SEPRACOR, INC. (US) 2005-08-11 US disclosed
US-6911452-B2 Spiroazacyclic compounds as monoamine receptor modulators ACADIA PHARMACEUTICALS INC. (US) 2005-06-28 US disclosed
US-20030166928-A1 Spiroazacyclic compounds as monoamine receptor modulators ACADIA PHARMACEUTICALS INC. 2003-09-04 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 (7 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-20050256108-A1 Spiroazacyclic compounds as monoamine receptor modulators MAOA, MAOB, HTR5A HSD11B1 125/4885CYP3A4 918/4885CYP2C9 867/4885
US-20050176680-A1 Eszopiclone stimulates GABA receptors, and serotonin reuptake inhibitor (citalopram), norepinephrine reuptake inhibitor (desipramine), 5-HT2A modulator, or dopamine reuptake inhibitor (amineptine) HTR2A, HTR2C, HTR5A HSD11B1 477/4885CYP3A4 556/4885CYP2C9 832/4885
US-20090131418-A1 SPIROAZACYCLIC COMPOUNDS AS MONOAMINE RECEPTOR MODULATORS MAOA, MAOB, HTR5A HSD11B1 125/4885CYP3A4 918/4885CYP2C9 867/4885
US-20030166928-A1 Spiroazacyclic compounds as monoamine receptor modulators MAOA, MAOB, HTR5A HSD11B1 125/4885CYP3A4 918/4885CYP2C9 867/4885
US-20120122874-A1 COMBINATION OF A SEDATIVE AND A NEUROTRANSMITTER MODULATOR, AND METHODS FOR TREATING DEPRESSION HTR2A, HTR5A, HTR2C HSD11B1 360/4885CYP3A4 604/4885CYP2C9 969/4885
US-20070161621-A1 SPIROAZACYCLIC COMPOUNDS AS MONOAMINE RECEPTOR MODULATORS MAOA, MAOB, HTR5A HSD11B1 125/4885CYP3A4 918/4885CYP2C9 867/4885
US-20060199794-A1 Spiroazacyclic compounds as monoamine receptor modulators MAOA, MAOB, HTR5A HSD11B1 125/4885CYP3A4 918/4885CYP2C9 867/4885

“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.