SCHEMBL3403018

SCHEMBL3403018

CCOC(=O)CN(C)CCCC1(c2cccs2)OCc2cc(Cl)ccc21

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 5/20 0.39
PGR P06401 1/20 0.38
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL468481 0.88 SLC6A4 (0.42) SLC6A4PGR
SCHEMBL6169294 0.81 SLC6A4 (0.41) SLC6A4PGR
SCHEMBL6169291 0.81 SLC6A4 (0.41) SLC6A4PGR
SCHEMBL468605 0.81 SLC6A4 (0.39) SLC6A4PGR
SCHEMBL5995940 0.73 SLC6A4 (0.54) SLC6A4
SCHEMBL3403757 0.71 SLC6A4 (0.52) SLC6A4
Hydrochloric Acid SCHEMBL6275746 0.70 SLC6A4 (0.52) SLC6A4
SCHEMBL468474 0.70 SLC6A4 (0.74) SLC6A4
SCHEMBL30130483 0.70 SLC6A4 (0.74) SLC6A4
SCHEMBL14732576 0.70 SLC6A4 (0.74) SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-9649304-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) 2017-05-16 US disclosed
EP-2389187-B1 SORBIC AND BENZOIC ACID AND DERIVATIVES THEREOF ENHANCE THE ACTIVITY OF A NEUROPHARMACEUTICAL LOS ANGELES BIOMED RES INST (US) 2016-11-16 EP 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
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
WO-2006000222-A2 THE COMBINATION OF AN ANTIPSYCHOTIC AND A GLYCINE TRANSPORTER TYPE I INHIBITOR FOR THE TREATMENT OF SCHIZOPHRENIA H. LUNDBECK A/S (DK) 2006-01-05 WO disclosed
US-6921774-B2 Compounds and their use as glycine transport inhibitors H. LUNDBECK A/S (DK) 2005-07-26 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 (1 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-20060223857-A1 Combination of a serotonin reuptake inhibitor and a glycine transporter type 1 inhibitor for the treatment of depression SLC6A4, SLC6A7, SLC6A5 SLC6A4 1/4885PGR 869/4885TDP1 705/4885

“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.