SCHEMBL342239

SCHEMBL342239

CC(C)COc1ccc(CN2C(=O)OC3(CCN(CCC4OCCO4)CC3)C2Cc2ccc(Cl)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 6/20 0.37
CACNA1G O43497 3/20 0.37
KCNH2 Q12809 2/20 0.37
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
DRD4 P21917 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
POLB P06746 1/20 0.35
HTR2A P28223 3/20 0.34
FAAH O00519 1/20 0.34
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL342703 0.93 HTR2A (0.39) CACNA1GKCNH2DRD4KDM4EALDH1A1
SCHEMBL2768974 0.90 HTR2A (0.38) CACNA1GKCNH2DRD4POLBHTR2A
SCHEMBL341273 0.88 HTR2A (0.40) P2RX3CACNA1GKCNH2HTR2A
SCHEMBL340488 0.87 P2RX3 (0.38) P2RX3CACNA1GKCNH2MAPK1DRD4
SCHEMBL342246 0.86 HTR2A (0.40) P2RX3CACNA1GKCNH2LMNAMAPK1
SCHEMBL340343 0.85 DRD4 (0.36) P2RX3CACNA1GKCNH2DRD4HTR2A
SCHEMBL342370 0.85 P2RX3 (0.39) P2RX3CACNA1GKCNH2DRD4POLB
SCHEMBL340691 0.83 OPRL1 (0.40) P2RX3DRD4HSD17B10
SCHEMBL341173 0.82 MMP1 (0.39) KCNH2DRD4ALDH1A1POLBHTR2A
SCHEMBL340943 0.81 HSD11B1 (0.37) KCNH2POLB

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 33 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 P2RX3 820/4885CACNA1G 1355/4885KCNH2 1196/4885
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 P2RX3 552/4885CACNA1G 649/4885KCNH2 1475/4885
US-20090131418-A1 SPIROAZACYCLIC COMPOUNDS AS MONOAMINE RECEPTOR MODULATORS MAOA, MAOB, HTR5A P2RX3 820/4885CACNA1G 1355/4885KCNH2 1196/4885
US-20030166928-A1 Spiroazacyclic compounds as monoamine receptor modulators MAOA, MAOB, HTR5A P2RX3 820/4885CACNA1G 1355/4885KCNH2 1196/4885
US-20120122874-A1 COMBINATION OF A SEDATIVE AND A NEUROTRANSMITTER MODULATOR, AND METHODS FOR TREATING DEPRESSION HTR2A, HTR5A, HTR2C P2RX3 444/4885CACNA1G 371/4885KCNH2 678/4885
US-20070161621-A1 SPIROAZACYCLIC COMPOUNDS AS MONOAMINE RECEPTOR MODULATORS MAOA, MAOB, HTR5A P2RX3 820/4885CACNA1G 1355/4885KCNH2 1196/4885
US-20060199794-A1 Spiroazacyclic compounds as monoamine receptor modulators MAOA, MAOB, HTR5A P2RX3 820/4885CACNA1G 1355/4885KCNH2 1196/4885

“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.