SCHEMBL341699

SCHEMBL341699

COc1ccc(CC(=O)N(Cc2ccc(C)cc2)C2CCN(CCN3CCOCC3)CC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.59
OPRM1 P35372 5/20 0.58
CCR5 P51681 3/20 0.51
POLB P06746 2/20 0.50
SIGMAR1 Q99720 1/20 0.47
ALDH1A1 P00352 1/20 0.46
DUSP3 P51452 1/20 0.46
PTPN11 Q06124 1/20 0.46

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 SCHEMBL10321671 0.99 HTR2A (0.58) HTR2AOPRM1CCR5POLBSIGMAR1
SCHEMBL342156 0.97 HTR2A (0.56) HTR2AOPRM1CCR5POLB
Hydrochloric Acid SCHEMBL10320448 0.96 HTR2A (0.56) HTR2AOPRM1CCR5POLB
SCHEMBL340406 0.90 HTR2A (0.61) HTR2AOPRM1CCR5POLBSIGMAR1
SCHEMBL341909 0.90 OPRM1 (0.63) HTR2AOPRM1CCR5POLBSIGMAR1
SCHEMBL339715 0.89 HTR2A (0.56) HTR2AOPRM1CCR5POLBSIGMAR1
SCHEMBL340597 0.89 HTR2A (0.62) HTR2AOPRM1CCR5POLB
Hydrochloric Acid SCHEMBL10322521 0.89 HTR2A (0.56) HTR2AOPRM1CCR5POLBSIGMAR1
SCHEMBL342265 0.88 OPRM1 (0.61) HTR2AOPRM1CCR5POLBSIGMAR1
SCHEMBL340779 0.88 HTR2A (0.59) HTR2AOPRM1CCR5POLBSIGMAR1

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
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
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 1/4885OPRM1 77/4885CCR5 570/4885
US-20040106600-A1 N-substituted piperidine derivatives as serotonin receptor agents HTR1A, HTR5A, HTR1B HTR2A 12/4885OPRM1 40/4885CCR5 1728/4885
US-20060094758-A1 N-substituted piperidine derivatives as serotonin receptor agents HTR1A, HTR5A, HTR1B HTR2A 10/4885OPRM1 40/4885CCR5 1560/4885
US-20080051429-A1 USE OF 4-AMINO-PIPERIDINES FOR TREATING SLEEP DISORDERS HTR4, HTR3B, HTR2A HTR2A 3/4885OPRM1 98/4885CCR5 1541/4885
US-20120122874-A1 COMBINATION OF A SEDATIVE AND A NEUROTRANSMITTER MODULATOR, AND METHODS FOR TREATING DEPRESSION HTR2A, HTR5A, HTR2C HTR2A 1/4885OPRM1 93/4885CCR5 553/4885
US-20060205722-A1 N-substituted piperidine derivatives as serotonin receptor agents HTR1A, HTR5A, HTR1B HTR2A 10/4885OPRM1 40/4885CCR5 1560/4885
US-20060199818-A1 N-substituted piperidine derivatives as serotonin receptor agents HTR1A, HTR5A, HTR1B HTR2A 10/4885OPRM1 40/4885CCR5 1560/4885

“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.