SCHEMBL340591

SCHEMBL340591

COc1ccc(N2C(=O)OC3(CCN(C)CC3)C2Cc2ccc(F)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.42
MEN1 O00255 1/20 0.41
HTR7 P34969 1/20 0.41
KMT2A Q03164 1/20 0.41
GFER P55789 1/20 0.41
SIGMAR1 Q99720 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
OPRM1 P35372 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
RGS4 P49798 1/20 0.39
RGS8 P57771 1/20 0.39
GLA P06280 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL340590 0.85 MEN1 (0.45) MEN1KMT2AALDH1A1OPRM1NPSR1
SCHEMBL2768240 0.78 HTR2A (0.37) MEN1KMT2AOPRM1
SCHEMBL16058423 0.77 MEN1 (0.43) MEN1KMT2ASIGMAR1ALDH1A1OPRM1
SCHEMBL2768145 0.76 PDE1A (0.41) KDM4EOPRM1RGS4GLANPSR1
SCHEMBL342349 0.76 HCRTR2 (0.43) HSD11B1MEN1KMT2AALDH1A1NPSR1
SCHEMBL342890 0.76 POLB (0.41) KMT2AALDH1A1KDM4E
SCHEMBL340457 0.76 ALDH1A1 (0.47) ALDH1A1
Hydrochloric Acid SCHEMBL3557969 0.75 PDE1A (0.41) SIGMAR1KDM4EOPRM1RGS4GLA
SCHEMBL340445 0.75 HTR2A (0.42) HSD11B1GLA
SCHEMBL342354 0.74 HPGD (0.43) MEN1KMT2AALDH1A1L3MBTL1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20070299055-A1 COMBINATION OF SEDATIVE AND A NEUROTRANSMITTER MODULATOR, AND METHODS FOR IMPROVING SLEEP QUALITY AND TREATING DEPRESSION SEPRACOR INC. (US) 2007-12-27 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20070299055-A1 COMBINATION OF SEDATIVE AND A NEUROTRANSMITTER MODULATOR, AND METHODS FOR IMPROVING SLEEP QUALITY AND TREATING DEPRESSION HTR2A, HTR5A, HTR2C HSD11B1 517/4885MEN1 4671/4885HTR7 38/4885
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 HSD11B1 477/4885MEN1 4256/4885HTR7 24/4885
US-20120122874-A1 COMBINATION OF A SEDATIVE AND A NEUROTRANSMITTER MODULATOR, AND METHODS FOR TREATING DEPRESSION HTR2A, HTR5A, HTR2C HSD11B1 360/4885MEN1 4572/4885HTR7 28/4885

“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.