SCHEMBL341353

SCHEMBL341353

COc1ccc(CC(=O)N(Cc2ccc(F)cc2)C2CCN(CCC3OCCCO3)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.53
TMEM97 Q5BJF2 2/20 0.50
HTR2A P28223 10/20 0.48
CCR5 P51681 3/20 0.47

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
Cadaverine Tartrate SCHEMBL10322794 0.94 OPRM1 (0.50) OPRM1TMEM97HTR2ACCR5
SCHEMBL340417 0.93 OPRM1 (0.54) OPRM1TMEM97HTR2ACCR5
SCHEMBL341230 0.92 HTR2A (0.58) OPRM1TMEM97HTR2ACCR5
SCHEMBL5927576 0.91 OPRM1 (0.53) OPRM1TMEM97HTR2ACCR5
SCHEMBL341090 0.91 HTR2A (0.59) OPRM1TMEM97HTR2A
SCHEMBL342207 0.90 OPRM1 (0.52) OPRM1TMEM97HTR2ACCR5
Oxalic Acid SCHEMBL10322235 0.90 HTR2A (0.56) OPRM1TMEM97HTR2ACCR5
SCHEMBL342191 0.90 HTR2A (0.55) OPRM1TMEM97HTR2ACCR5
SCHEMBL341009 0.90 CCR5 (0.53) OPRM1TMEM97HTR2ACCR5
SCHEMBL340681 0.89 HTR2A (0.60) OPRM1HTR2A

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 22 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
US-20060205722-A1 N-substituted piperidine derivatives as serotonin receptor agents ACADIA PHARMACEUTICALS, INC. 2006-09-14 US disclosed
US-20060199818-A1 N-substituted piperidine derivatives as serotonin receptor agents ACADIA PHARMACEUTICALS INC. 2006-09-07 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
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

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 OPRM1 77/4885TMEM97 232/4885HTR2A 1/4885
US-20040106600-A1 N-substituted piperidine derivatives as serotonin receptor agents HTR1A, HTR5A, HTR1B OPRM1 40/4885TMEM97 142/4885HTR2A 12/4885
US-20060094758-A1 N-substituted piperidine derivatives as serotonin receptor agents HTR1A, HTR5A, HTR1B OPRM1 40/4885TMEM97 130/4885HTR2A 10/4885
US-20080051429-A1 USE OF 4-AMINO-PIPERIDINES FOR TREATING SLEEP DISORDERS HTR4, HTR3B, HTR2A OPRM1 98/4885TMEM97 510/4885HTR2A 3/4885
US-20120122874-A1 COMBINATION OF A SEDATIVE AND A NEUROTRANSMITTER MODULATOR, AND METHODS FOR TREATING DEPRESSION HTR2A, HTR5A, HTR2C OPRM1 93/4885TMEM97 171/4885HTR2A 1/4885
US-20060205722-A1 N-substituted piperidine derivatives as serotonin receptor agents HTR1A, HTR5A, HTR1B OPRM1 40/4885TMEM97 130/4885HTR2A 10/4885
US-20060199818-A1 N-substituted piperidine derivatives as serotonin receptor agents HTR1A, HTR5A, HTR1B OPRM1 40/4885TMEM97 130/4885HTR2A 10/4885

“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.