SCHEMBL340117

SCHEMBL340117

CCCOc1ccc(CN2C(=O)COC3(CCN(CC)CC3)C2Cc2ccc(F)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.40
MMP9 P14780 1/20 0.40
MMP13 P45452 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
HCRTR1 O43613 3/20 0.39
HCRTR2 O43614 3/20 0.39
HTT P42858 1/20 0.38
MAPT P10636 1/20 0.37
GAA P10253 1/20 0.37
FFAR1 O14842 2/20 0.36
DRD4 P21917 1/20 0.36

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
SCHEMBL340319 0.93 HCRTR1 (0.40) MMP1MMP9MMP13NPC1RAB9A
SCHEMBL341469 0.87 MMP1 (0.41) MMP1MMP9MMP13NPC1RAB9A
SCHEMBL341718 0.85 KMT2A (0.40) NPC1HCRTR1HCRTR2HTTGAA
SCHEMBL340438 0.81 HTR2A (0.44)
SCHEMBL342037 0.80 HCRTR1 (0.46) HCRTR1HCRTR2
SCHEMBL341722 0.80 HCRTR1 (0.41) MMP1MMP9MMP13NPC1RAB9A
SCHEMBL342012 0.79 HCRTR1 (0.40) MMP1MMP9MMP13HCRTR1HCRTR2
SCHEMBL16058423 0.79 MEN1 (0.43) MMP1MMP9MMP13HTTMAPT
SCHEMBL342254 0.79 HCRTR1 (0.39) MMP1MMP9MMP13HCRTR1HCRTR2
SCHEMBL339656 0.77 OPRL1 (0.41) MMP1MMP9MMP13HCRTR1HCRTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090131418-A1 SPIROAZACYCLIC COMPOUNDS AS MONOAMINE RECEPTOR MODULATORS ACADIA PHARAMCEUTICALS, INC. (US) 2009-05-21 US claimed
US-7351707-B2 Spiroazacyclic compounds as monoamine receptor modulators ACADIA PHARMACEUTICALS, INC. (US) 2008-04-01 US claimed
US-20070161621-A1 SPIROAZACYCLIC COMPOUNDS AS MONOAMINE RECEPTOR MODULATORS ACADIA PHARMACEUTICALS (US) 2007-07-12 US claimed
US-20060199794-A1 Spiroazacyclic compounds as monoamine receptor modulators ACADIA PHARMACEUTICALS INC. 2006-09-07 US claimed
US-20050256108-A1 Spiroazacyclic compounds as monoamine receptor modulators ACADIA PHARMACEUTICALS INC. 2005-11-17 US claimed
EP-1461339-A2 SPIROAZACYCLIC COMPOUNDS AS MONOAMINE RECEPTOR MODULATORS Acadia Pharmaceuticals Inc. (US) 2004-09-29 EP claimed
US-20030166928-A1 Spiroazacyclic compounds as monoamine receptor modulators ACADIA PHARMACEUTICALS INC. 2003-09-04 US claimed
WO-2003057698-A2 SPIROAZACYCLIC COMPOUNDS AS MONOAMINE RECEPTOR MODULATORS ACADIA PHARMACEUTICALS, INC. (US) 2003-07-17 WO claimed
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-8097625-B2 Combination of sedative and a neurotransmitter modulator, and methods for improving sleep quality and treating depression SUNOVION PHARMACEUTICALS INC. (US) 2012-01-17 US disclosed
EP-2343073-A2 Combination of a sedative and a neurotransmitter modulator, and methods for improving sleep quality and treating depression Sepracor Inc. (US) 2011-07-13 EP disclosed
US-7727999-B2 substituted 1,3,8-triaza-spiro[4.5]decan-2-one compounds, used as selective serotonin receptor antagonists, used rfor the treatment of schizophrenia, psychosis, headaches, hypertension, thrombosis, vasospasm, depression, anxiety, sleep disorders and appetite disorders ACADIA PHARMACEUTICALS INC. (US) 2010-06-01 US disclosed
US-20090131418-A1 SPIROAZACYCLIC COMPOUNDS AS MONOAMINE RECEPTOR MODULATORS ACADIA PHARAMCEUTICALS, INC. (US) 2009-05-21 US disclosed
US-7511053-B2 Spiroazacyclic compounds as monoamine receptor modulators ACADIA PHARMACEUTICALS, INC. (US) 2009-03-31 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 (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 MMP1 2118/4885MMP9 2221/4885MMP13 2206/4885
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 MMP1 3239/4885MMP9 2076/4885MMP13 3815/4885
US-20090131418-A1 SPIROAZACYCLIC COMPOUNDS AS MONOAMINE RECEPTOR MODULATORS MAOA, MAOB, HTR5A MMP1 2118/4885MMP9 2221/4885MMP13 2206/4885
US-20030166928-A1 Spiroazacyclic compounds as monoamine receptor modulators MAOA, MAOB, HTR5A MMP1 2118/4885MMP9 2221/4885MMP13 2206/4885
US-20120122874-A1 COMBINATION OF A SEDATIVE AND A NEUROTRANSMITTER MODULATOR, AND METHODS FOR TREATING DEPRESSION HTR2A, HTR5A, HTR2C MMP1 3738/4885MMP9 3241/4885MMP13 4267/4885
US-20070161621-A1 SPIROAZACYCLIC COMPOUNDS AS MONOAMINE RECEPTOR MODULATORS MAOA, MAOB, HTR5A MMP1 2118/4885MMP9 2221/4885MMP13 2206/4885
US-20060199794-A1 Spiroazacyclic compounds as monoamine receptor modulators MAOA, MAOB, HTR5A MMP1 2118/4885MMP9 2221/4885MMP13 2206/4885

“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.