SCHEMBL342091

SCHEMBL342091

CC(C)Oc1ccc(CC(=O)N(Cc2ccc(F)cc2)C2CCN(CCn3c(=O)[nH]c4ccccc4c3=O)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 8/20 0.54
SLC18A2 Q05940 5/20 0.54
SLC6A3 Q01959 3/20 0.54
ALDH1A1 P00352 2/20 0.54
CYP3A4 P08684 2/20 0.54
HPGD P15428 2/20 0.54
CYP2C19 P33261 2/20 0.54
LMNA P02545 2/20 0.54
KCNH2 Q12809 2/20 0.54
MEN1 O00255 1/20 0.54
CYP1A2 P05177 1/20 0.54
HTR1A P08908 1/20 0.54
MAPT P10636 1/20 0.54
CYP2C9 P11712 1/20 0.54
DRD2 P14416 1/20 0.54
ADRA2B P18089 1/20 0.54
ADRA2C P18825 1/20 0.54
DRD1 P21728 1/20 0.54
DRD4 P21917 1/20 0.54
HTR1D P28221 1/20 0.54

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
Hydrochloric Acid SCHEMBL10323210 0.99 HTR2A (0.53) HTR2ASLC18A2SLC6A3ALDH1A1CYP3A4
SCHEMBL342659 0.87 HTR2A (0.53) HTR2AKCNH2HTR1ADRD2DRD3
Hydrochloric Acid SCHEMBL10322898 0.86 HTR2A (0.52) HTR2AKCNH2HTR1ADRD2DRD3
SCHEMBL341319 0.85 SLC18A2 (0.54) HTR2ASLC18A2SLC6A3ALDH1A1CYP3A4
Hydrochloric Acid SCHEMBL10321482 0.84 SLC18A2 (0.54) HTR2ASLC18A2SLC6A3ALDH1A1CYP3A4
SCHEMBL6329094 0.81 HTR2A (0.53) HTR2AOPRM1TMEM97
SCHEMBL339810 0.80 HTR2A (0.58) HTR2AOPRM1TMEM97
Hydrochloric Acid SCHEMBL10321804 0.79 HTR2A (0.57) HTR2AOPRM1TMEM97
SCHEMBL342383 0.79 HTR2A (0.79) HTR2A
SCHEMBL341115 0.79 HTR2A (0.61) HTR2AOPRM1TMEM97

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7538222-B2 N-substituted piperidine derivatives as serotonin receptor agents ACADIA PHARMACEUTICALS, INC. (US) 2009-05-26 US claimed
US-20060205722-A1 N-substituted piperidine derivatives as serotonin receptor agents ACADIA PHARMACEUTICALS, INC. 2006-09-14 US claimed
US-20060199818-A1 N-substituted piperidine derivatives as serotonin receptor agents ACADIA PHARMACEUTICALS INC. 2006-09-07 US claimed
US-20060094758-A1 N-substituted piperidine derivatives as serotonin receptor agents ACADIA PHARMACEUTICALS, INC. 2006-05-04 US claimed
EP-1562937-A2 N-SUBSTITUTED PIPERIDINE DERIVATIVES AS SEROTONIN RECEPTOR AGENTS Acadia Pharmaceuticals Inc. (US) 2005-08-17 EP claimed
US-20040106600-A1 N-substituted piperidine derivatives as serotonin receptor agents ACADIA PHARMACEUTICALS, INC. 2004-06-03 US claimed
WO-2004000808-A2 N-SUBSTITUTED PIPERIDINE DERIVATIVES AS SEROTONIN RECEPTOR AGENTS ACADIA PHARMACEUTICALS INC. (US) 2003-12-31 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-7538222-B2 N-substituted piperidine derivatives as serotonin receptor agents ACADIA PHARMACEUTICALS, INC. (US) 2009-05-26 US disclosed
US-7476682-B2 N-substituted piperidine derivatives as serotonin receptor agents ACADIA PHARMACEUTICALS, INC. (US) 2009-01-13 US disclosed
US-20080051429-A1 USE OF 4-AMINO-PIPERIDINES FOR TREATING SLEEP DISORDERS ACADIA PHARMACEUTICALS INC. 2008-02-28 US disclosed
EP-1691811-A1 COMBINATION OF A SEDATIVE AND A NEUROTRANSMITTER MODULATOR, AND METHODS FOR IMPROVING SLEEP QUALITY AND TREATING DEPRESSION Sepracor, Inc. (US) 2006-08-23 EP disclosed
US-20060094758-A1 N-substituted piperidine derivatives as serotonin receptor agents ACADIA PHARMACEUTICALS, INC. 2006-05-04 US disclosed
EP-1562937-A2 N-SUBSTITUTED PIPERIDINE DERIVATIVES AS SEROTONIN RECEPTOR AGENTS Acadia Pharmaceuticals Inc. (US) 2005-08-17 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-20040106600-A1 N-substituted piperidine derivatives as serotonin receptor agents ACADIA PHARMACEUTICALS, INC. 2004-06-03 US disclosed
WO-2004000808-A2 N-SUBSTITUTED PIPERIDINE DERIVATIVES AS SEROTONIN RECEPTOR AGENTS ACADIA PHARMACEUTICALS INC. (US) 2003-12-31 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-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 HTR2A 1/4885SLC18A2 29/4885SLC6A3 35/4885
US-20040106600-A1 N-substituted piperidine derivatives as serotonin receptor agents HTR1A, HTR5A, HTR1B HTR2A 12/4885SLC18A2 8/4885SLC6A3 20/4885
US-20060094758-A1 N-substituted piperidine derivatives as serotonin receptor agents HTR1A, HTR5A, HTR1B HTR2A 10/4885SLC18A2 13/4885SLC6A3 21/4885
US-20080051429-A1 USE OF 4-AMINO-PIPERIDINES FOR TREATING SLEEP DISORDERS HTR4, HTR3B, HTR2A HTR2A 3/4885SLC18A2 80/4885SLC6A3 233/4885
US-20120122874-A1 COMBINATION OF A SEDATIVE AND A NEUROTRANSMITTER MODULATOR, AND METHODS FOR TREATING DEPRESSION HTR2A, HTR5A, HTR2C HTR2A 1/4885SLC18A2 64/4885SLC6A3 69/4885
US-20060205722-A1 N-substituted piperidine derivatives as serotonin receptor agents HTR1A, HTR5A, HTR1B HTR2A 10/4885SLC18A2 13/4885SLC6A3 21/4885
US-20060199818-A1 N-substituted piperidine derivatives as serotonin receptor agents HTR1A, HTR5A, HTR1B HTR2A 10/4885SLC18A2 13/4885SLC6A3 21/4885

“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.