SCHEMBL3408196

SCHEMBL3408196

CC(C(=O)O)N(C)CCCC1(c2ccc(C#N)cc2)OCc2cc(C#N)ccc21

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 15/20 0.68
MAPK1 P28482 2/20 0.68
LMNA P02545 1/20 0.68
SLC6A2 P23975 2/20 0.64
HTR2C P28335 2/20 0.64
ADRA1A P35348 2/20 0.64
HRH1 P35367 2/20 0.64
OPRM1 P35372 2/20 0.64
DRD3 P35462 2/20 0.64
HTR2B P41595 2/20 0.64
KCNH2 Q12809 2/20 0.64
NPC1 O15118 1/20 0.64
SLC22A1 O15245 1/20 0.64
ALDH1A1 P00352 1/20 0.64
CHRM2 P08172 1/20 0.64
HTR1A P08908 1/20 0.64
CHRM1 P11229 1/20 0.64
DRD1 P21728 1/20 0.64
ACHE P22303 1/20 0.64
HRH2 P25021 1/20 0.64

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
SCHEMBL3408193 1.00 SLC6A4 (0.68) SLC6A4MAPK1LMNASLC6A2HTR2C
SCHEMBL21065411 0.88 SLC6A4 (0.59) SLC6A4MAPK1LMNASLC6A2HTR2C
SCHEMBL21065412 0.88 SLC6A4 (0.59) SLC6A4MAPK1LMNASLC6A2HTR2C
SCHEMBL145621 0.84 SLC6A4 (0.88) SLC6A4MAPK1LMNASLC6A2HTR2C
SCHEMBL3408122 0.83 SLC6A4 (0.52) SLC6A4MAPK1LMNA
SCHEMBL3408118 0.83 SLC6A4 (0.52) SLC6A4MAPK1LMNA
Hydrochloric Acid SCHEMBL6167895 0.83 SLC6A4 (0.51) SLC6A4MAPK1LMNA
Hydrochloric Acid SCHEMBL6167899 0.83 SLC6A4 (0.51) SLC6A4MAPK1LMNA
Escitalopram SCHEMBL28980945 0.82 SLC6A4 (0.94) SLC6A4MAPK1LMNASLC6A2HTR2C
Escitalopram SCHEMBL28631467 0.82 SLC6A4 (0.94) SLC6A4MAPK1LMNASLC6A2HTR2C

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
WO-2009018368-A1 COMBINATION TREATMENT OF NMDA (N-METHYL-D-ASPARTATE)-ENHANCER, GLYCINE TRANSPORTER INHIBITOR, D-AMINO ACID OXIDASE INHIBITOR (DAAOI) FOR NEUROPSYCHIATRIC DISORDERS LOS ANGELES BIOMEDICAL RESEARCH INSTITUTE AT HARBOR-UCLA MEDICAL CENTER (US) 2009-02-05 WO claimed
US-20060223857-A1 Combination of a serotonin reuptake inhibitor and a glycine transporter type 1 inhibitor for the treatment of depression H. LUNDBECK A/S (DK) 2006-10-05 US claimed
EP-1301502-B1 COMPOUNDS AND THEIR USE AS GLYCINE TRANSPORT INHIBITORS LUNDBECK & CO AS H (DK) 2005-05-18 EP claimed
US-11529342-B2 Sorbic and benzoic acid and derivatives thereof enhance the activity of a neuropharmaceutical LOS ANGELES BIOMEDICAL RESEARCH INSTITUTE AT HARBOR-UCLA MEDICAL CENTER (US) 2022-12-20 US disclosed
US-20190151301-A1 SORBIC AND BENZOIC ACID AND DERIVATIVES THEREOF ENHANCE THE ACTIVITY OF A NEUROPHARMACEUTICAL LOS ANGELES BIOMEDICAL RESEARCH INSTITUTE AT HARBOR-UCLA MEDICAL CENTER (US) 2019-05-23 US disclosed
EP-3006024-B1 BENZOIC ACID OR SALTS THEREOF TO ENHANCE THE ACTIVITY OF A NEUROPHARMACEUTICAL LOS ANGELES BIOMEDICAL RES INST HARBOR UCLA MEDICAL CT (US) 2019-03-20 EP disclosed
US-10149845-B2 Sorbic and benzoic acid and derivatives thereof enhance the activity of a neuropharmaceutical LOS ANGELES BIOMEDICAL RESEARCH INSTITUTE AT HARBOR-UCLA MEDICAL CENTER (US) 2018-12-11 US disclosed
US-10039730-B2 Sorbic and benzoic acid and derivatives thereof enhance the activity of a neuropharmaceutical LOS ANGELES BIOMEDICAL RESEARCH INSTITUTE AT HARBOR-UCLA MEDICAL CENTER (US) 2018-08-07 US disclosed
US-20170189358-A1 SORBIC AND BENZOIC ACID AND DERIVATIVES THEREOF ENHANCE THE ACTIVITY OF A NEUROPHARMACEUTICAL LOS ANGELES BIOMEDICAL RESEARCH INSTITUTE AT HARBOR-UCLA MEDICAL CENTER (US) 2017-07-06 US disclosed
US-20170181989-A1 SORBIC AND BENZOIC ACID AND DERIVATIVES THEREOF ENHANCE THE ACTIVITY OF A NEUROPHARMACEUTICAL LOS ANGELES BIOMEDICAL RESEARCH INSTITUTE AT HARBOR-UCLA MEDICAL CENTER (US) 2017-06-29 US disclosed
US-9675604-B2 Sorbic and benzoic acid and derivatives thereof enhance the activity of a neuropharmaceutical LOS ANGELES BIOMEDICAL RESEARCH INSTITUTE AT HARBOR-UCLA MEDICAL CENTER (US) 2017-06-13 US disclosed
EP-3006023-A1 SORBIC ACID AND DERIVATIVES THEREOF TO ENHANCE THE ACTIVITY OF A NEUROPHARMACEUTICAL Los Angeles Biomedical Research Institute at Harbor-UCLA Medical Center (US) 2016-04-13 EP disclosed
EP-3006024-A1 BENZOIC ACID OR SALTS THEREOF TO ENHANCE THE ACTIVITY OF A NEUROPHARMACEUTICAL Los Angeles Biomedical Research Institute at Harbor-UCLA Medical Center (US) 2016-04-13 EP disclosed
US-20150099015-A1 Sorbic and Benzoic Acid and Derivatives Thereof Enhance the Activity of a Neuropharmaceutical LOS ANGELES BIOMEDICAL RESEARCH INSTITUTE AT HARBOR-UCLA MEDICAL CENTER 2015-04-09 US disclosed
US-20100189818-A1 SORBIC AND BENZOIC ACID AND DERIVATIVES THEREOF ENHANCE THE ACTIVITY OF A NEUROPHARMACEUTICAL LOS ANGELES BIOMEDICAL RESEARCH INSTITUTE AT HARBOR-UCLA MEDICAL CENTER (US) 2010-07-29 US disclosed
WO-2009018368-A1 COMBINATION TREATMENT OF NMDA (N-METHYL-D-ASPARTATE)-ENHANCER, GLYCINE TRANSPORTER INHIBITOR, D-AMINO ACID OXIDASE INHIBITOR (DAAOI) FOR NEUROPSYCHIATRIC DISORDERS LOS ANGELES BIOMEDICAL RESEARCH INSTITUTE AT HARBOR-UCLA MEDICAL CENTER (US) 2009-02-05 WO disclosed
US-20060223857-A1 Combination of a serotonin reuptake inhibitor and a glycine transporter type 1 inhibitor for the treatment of depression H. LUNDBECK A/S (DK) 2006-10-05 US disclosed
US-6921774-B2 Compounds and their use as glycine transport inhibitors H. LUNDBECK A/S (DK) 2005-07-26 US disclosed
EP-1301502-B1 COMPOUNDS AND THEIR USE AS GLYCINE TRANSPORT INHIBITORS LUNDBECK & CO AS H (DK) 2005-05-18 EP disclosed
US-20030181445-A1 Novel compounds and their use as glycine transport inhibitors H. LUNDBECK A/S (DK) 2003-09-25 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 (2 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-20030181445-A1 Novel compounds and their use as glycine transport inhibitors SLC1A5, SLC7A1, SLC7A11 SLC6A4 75/4885MAPK1 1862/4885LMNA 3636/4885
US-20060223857-A1 Combination of a serotonin reuptake inhibitor and a glycine transporter type 1 inhibitor for the treatment of depression SLC6A4, SLC6A7, SLC6A5 SLC6A4 1/4885MAPK1 2443/4885LMNA 3677/4885

“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.