SCHEMBL341715

SCHEMBL341715

CCOc1ccc(CN2C(=O)SC3(CCN(C)CC3)C2Cc2ccc(F)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.43
POLB P06746 1/20 0.42
KMT2A Q03164 1/20 0.42
KDM4E B2RXH2 1/20 0.41
TP53 P04637 1/20 0.40
HCRTR2 O43614 3/20 0.39
ENPP2 Q13822 1/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
OPRM1 P35372 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HTR2A P28223 2/20 0.38
THRB P10828 1/20 0.38
HCRTR1 O43613 2/20 0.38
HTT P42858 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
SCHEMBL339329 0.92 HCRTR1 (0.42) POLBTP53HCRTR2ENPP2ALDH1A1
SCHEMBL341393 0.90 TACR1 (0.44) RORCPOLBKMT2ATP53ALDH1A1
SCHEMBL341212 0.89 HTR2A (0.46) OPRM1HTR2A
SCHEMBL340731 0.81 POLB (0.40) RORCPOLBKMT2AKDM4ETP53
SCHEMBL342890 0.81 POLB (0.41) RORCPOLBKMT2AKDM4ETP53
SCHEMBL341474 0.80 POLB (0.41) RORCPOLBKMT2AKDM4ETP53
SCHEMBL341718 0.79 KMT2A (0.40) RORCPOLBKMT2AKDM4ETP53
SCHEMBL342901 0.79 SSTR5 (0.45) RORCPOLBKMT2AKDM4ETP53
SCHEMBL340957 0.74 HCRTR1 (0.40) POLBKMT2ATP53HCRTR2ENPP2
SCHEMBL342354 0.73 HPGD (0.43) POLBKMT2ATP53HCRTR2ALDH1A1

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 RORC 696/4885POLB 3146/4885KMT2A 1738/4885
US-20060205710-A1 Spiroazacyclic compounds as monoamine receptor modulators MAOA, MAOB, HTR5A RORC 696/4885POLB 3146/4885KMT2A 1738/4885
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 RORC 413/4885POLB 4591/4885KMT2A 301/4885
US-20090131418-A1 SPIROAZACYCLIC COMPOUNDS AS MONOAMINE RECEPTOR MODULATORS MAOA, MAOB, HTR5A RORC 696/4885POLB 3146/4885KMT2A 1738/4885
US-20030166928-A1 Spiroazacyclic compounds as monoamine receptor modulators MAOA, MAOB, HTR5A RORC 696/4885POLB 3146/4885KMT2A 1738/4885
US-20120122874-A1 COMBINATION OF A SEDATIVE AND A NEUROTRANSMITTER MODULATOR, AND METHODS FOR TREATING DEPRESSION HTR2A, HTR5A, HTR2C RORC 185/4885POLB 4120/4885KMT2A 355/4885
US-20070161621-A1 SPIROAZACYCLIC COMPOUNDS AS MONOAMINE RECEPTOR MODULATORS MAOA, MAOB, HTR5A RORC 696/4885POLB 3146/4885KMT2A 1738/4885
US-20060199794-A1 Spiroazacyclic compounds as monoamine receptor modulators MAOA, MAOB, HTR5A RORC 696/4885POLB 3146/4885KMT2A 1738/4885

“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.