SCHEMBL339329

SCHEMBL339329

CCCOc1ccc(CN2C(=O)SC3(CCN(C)CC3)C2Cc2ccc(F)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 3/20 0.42
HCRTR2 O43614 3/20 0.42
MAPT P10636 3/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 2/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
RAB9A P51151 1/20 0.39
MMP1 P03956 1/20 0.39
MMP9 P14780 1/20 0.39
MMP13 P45452 1/20 0.39
USP2 O75604 2/20 0.39
ALDH1A1 P00352 1/20 0.39
ENPP2 Q13822 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM4A O75164 1/20 0.37
POLB P06746 1/20 0.37
ALOX15 P16050 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL341715 0.92 RORC (0.43) HCRTR1HCRTR2MAPTHPGDTP53
SCHEMBL341393 0.88 TACR1 (0.44) GAATP53ALDH1A1SMN1; SMN2POLB
SCHEMBL341212 0.87 HTR2A (0.46)
SCHEMBL340957 0.82 HCRTR1 (0.40) HCRTR1HCRTR2MAPTGAAHPGD
SCHEMBL341722 0.82 HCRTR1 (0.41) HCRTR1HCRTR2MAPTGAAHPGD
SCHEMBL340319 0.80 HCRTR1 (0.40) HCRTR1HCRTR2MAPTGAAHPGD
SCHEMBL341431 0.79 SSTR5 (0.41) HCRTR1HCRTR2MAPTGAAHPGD
SCHEMBL342354 0.78 HPGD (0.43) HCRTR1HCRTR2HPGDNPC1TP53
SCHEMBL340842 0.76 NPC1 (0.47) GAAHPGDNPC1TP53RAB9A
SCHEMBL341469 0.74 MMP1 (0.41) HCRTR1HCRTR2MAPTGAANPC1

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-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-20070161621-A1 SPIROAZACYCLIC COMPOUNDS AS MONOAMINE RECEPTOR MODULATORS ACADIA PHARMACEUTICALS (US) 2007-07-12 US claimed
US-20060205710-A1 Spiroazacyclic compounds as monoamine receptor modulators ACADIA PHARMACEUTICALS INC. 2006-09-14 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
EP-1461339-B1 SPIROAZACYCLIC COMPOUNDS AS MONOAMINE RECEPTOR MODULATORS ACADIA PHARM INC (US) 2010-04-28 EP 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 (8 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 HCRTR1 22/4885HCRTR2 16/4885MAPT 2318/4885
US-20060205710-A1 Spiroazacyclic compounds as monoamine receptor modulators MAOA, MAOB, HTR5A HCRTR1 22/4885HCRTR2 16/4885MAPT 2318/4885
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 HCRTR1 41/4885HCRTR2 18/4885MAPT 1078/4885
US-20090131418-A1 SPIROAZACYCLIC COMPOUNDS AS MONOAMINE RECEPTOR MODULATORS MAOA, MAOB, HTR5A HCRTR1 22/4885HCRTR2 16/4885MAPT 2318/4885
US-20030166928-A1 Spiroazacyclic compounds as monoamine receptor modulators MAOA, MAOB, HTR5A HCRTR1 22/4885HCRTR2 16/4885MAPT 2318/4885
US-20120122874-A1 COMBINATION OF A SEDATIVE AND A NEUROTRANSMITTER MODULATOR, AND METHODS FOR TREATING DEPRESSION HTR2A, HTR5A, HTR2C HCRTR1 60/4885HCRTR2 29/4885MAPT 2685/4885
US-20070161621-A1 SPIROAZACYCLIC COMPOUNDS AS MONOAMINE RECEPTOR MODULATORS MAOA, MAOB, HTR5A HCRTR1 22/4885HCRTR2 16/4885MAPT 2318/4885
US-20060199794-A1 Spiroazacyclic compounds as monoamine receptor modulators MAOA, MAOB, HTR5A HCRTR1 22/4885HCRTR2 16/4885MAPT 2318/4885

“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.