SCHEMBL340691

SCHEMBL340691

CC(C)COc1ccc(CN2C(=O)OC3(CCN(CC4CCCCC4)CC3)C2Cc2ccc(Cl)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 4/20 0.40
OPRM1 P35372 4/20 0.40
GRM2 Q14416 5/20 0.37
HSD17B10 Q99714 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
DRD4 P21917 1/20 0.35
OPRK1 P41145 2/20 0.35
SIGMAR1 Q99720 2/20 0.35
CCR5 P51681 1/20 0.34
P2RX3 P56373 1/20 0.34

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
SCHEMBL340343 0.96 DRD4 (0.36) OPRL1HSD17B10DRD4SIGMAR1P2RX3
SCHEMBL340164 0.93 OPRL1 (0.39) OPRL1OPRM1GRM2OPRK1SIGMAR1
SCHEMBL341478 0.88 HTR2A (0.38) OPRM1HRH3SIGMAR1CCR5
SCHEMBL340488 0.88 P2RX3 (0.38) DRD4SIGMAR1P2RX3
SCHEMBL341273 0.87 HTR2A (0.40) SIGMAR1P2RX3
SCHEMBL342370 0.85 P2RX3 (0.39) DRD4SIGMAR1P2RX3
SCHEMBL342239 0.83 P2RX3 (0.37) HSD17B10DRD4P2RX3
SCHEMBL342246 0.82 HTR2A (0.40) SIGMAR1P2RX3
SCHEMBL339656 0.82 OPRL1 (0.41) OPRL1OPRM1GRM2HRH3OPRK1
SCHEMBL341504 0.81 GRIN2D (0.41) OPRL1OPRM1GRM2OPRK1SIGMAR1

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 36 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-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-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
WO-2005060968-A1 COMBINATION OF A SEDATIVE AND A NEUROTRANSMITTER MODULATOR, AND METHODS FOR IMPROVING SLEEP QUALITY AND TREATING DEPRESSION SEPRACOR INC. (US) 2005-07-07 WO disclosed
US-6911452-B2 Spiroazacyclic compounds as monoamine receptor modulators ACADIA PHARMACEUTICALS INC. (US) 2005-06-28 US disclosed
EP-1461339-A2 SPIROAZACYCLIC COMPOUNDS AS MONOAMINE RECEPTOR MODULATORS Acadia Pharmaceuticals Inc. (US) 2004-09-29 EP disclosed
US-20030166928-A1 Spiroazacyclic compounds as monoamine receptor modulators ACADIA PHARMACEUTICALS INC. 2003-09-04 US disclosed
WO-2003057698-A2 SPIROAZACYCLIC COMPOUNDS AS MONOAMINE RECEPTOR MODULATORS ACADIA PHARMACEUTICALS, INC. (US) 2003-07-17 WO 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-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 OPRL1 37/4885OPRM1 77/4885GRM2 150/4885
US-20030166928-A1 Spiroazacyclic compounds as monoamine receptor modulators MAOA, MAOB, HTR5A OPRL1 78/4885OPRM1 87/4885GRM2 260/4885
US-20120122874-A1 COMBINATION OF A SEDATIVE AND A NEUROTRANSMITTER MODULATOR, AND METHODS FOR TREATING DEPRESSION HTR2A, HTR5A, HTR2C OPRL1 51/4885OPRM1 93/4885GRM2 102/4885
US-20070161621-A1 SPIROAZACYCLIC COMPOUNDS AS MONOAMINE RECEPTOR MODULATORS MAOA, MAOB, HTR5A OPRL1 78/4885OPRM1 87/4885GRM2 260/4885

“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.