SCHEMBL339758

SCHEMBL339758

NC[C@@H](CS(=O)(=O)O)c1ccc(Cl)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 6/20 1.00
GABBR1 Q9UBS5 6/20 1.00
LMNA P02545 3/20 0.57
CYP1A2 P05177 3/20 0.57
CYP2C9 P11712 2/20 0.57
THRB P10828 2/20 0.57
CYP3A4 P08684 2/20 0.57
TSHR P16473 2/20 0.57
ADORA3 P0DMS8 1/20 0.57
NFKB1 P19838 1/20 0.57
DRD3 P35462 1/20 0.57
BLM P54132 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C19 P33261 1/20 0.57
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
MAPT P10636 2/20 0.56
PMP22 Q01453 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56

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
SCHEMBL339757 1.00 GABBR2 (1.00) GABBR2GABBR1LMNACYP1A2CYP2C9
SCHEMBL28968674 1.00 GABBR2 (1.00) GABBR2GABBR1LMNACYP1A2CYP2C9
SCHEMBL4601734 0.81 GABBR2 (0.69) GABBR2GABBR1LMNACYP1A2CYP2C9
SCHEMBL23082612 0.78 GABBR2 (0.64) GABBR2GABBR1LMNACYP1A2CYP2C9
SCHEMBL1055044 0.78 GABBR2 (0.64) GABBR2GABBR1LMNACYP1A2CYP2C9
SCHEMBL10507284 0.78 GABBR2 (0.64) GABBR2GABBR1LMNACYP1A2CYP2C9
SCHEMBL6032624 0.78 GABBR2 (0.64) GABBR2GABBR1LMNACYP1A2CYP2C9
Hydrochloric Acid SCHEMBL10681987 0.76 GABBR2 (0.62) GABBR2GABBR1LMNACYP1A2CYP2C9
SCHEMBL7396004 0.75 GABBR2 (0.61) GABBR2GABBR1LMNACYP1A2CYP2C9
SCHEMBL9779274 0.75 GABBR2 (0.61) GABBR2GABBR1LMNACYP1A2CYP2C9

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 7 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-20050215521-A1 Modafinil combination therapy for improving sleep quality SEPRACOR INC. 2005-09-29 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
US-20050164987-A1 Melatonin combination therapy for improving sleep quality SEPRACOR INC. 2005-07-28 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 (5 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 GABBR2 33/4885GABBR1 27/4885LMNA 1965/4885
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 GABBR2 56/4885GABBR1 48/4885LMNA 2515/4885
US-20120122874-A1 COMBINATION OF A SEDATIVE AND A NEUROTRANSMITTER MODULATOR, AND METHODS FOR TREATING DEPRESSION HTR2A, HTR5A, HTR2C GABBR2 25/4885GABBR1 22/4885LMNA 2199/4885
US-20050164987-A1 Melatonin combination therapy for improving sleep quality MTNR1A, MTNR1B, CRY1 GABBR2 287/4885GABBR1 148/4885LMNA 1749/4885
US-20050215521-A1 Modafinil combination therapy for improving sleep quality HCRTR2, HCRTR1, MTNR1A GABBR2 331/4885GABBR1 206/4885LMNA 3221/4885

“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.