SCHEMBL468350

SCHEMBL468350

C[C@@H](C(=O)O)N(C)CCCC1(c2ccc(Cl)cc2)CCc2cc(Cl)ccc21

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BCHE P06276 6/20 0.44
SLC6A9 P48067 4/20 0.36
SRD5A1 P18405 2/20 0.35
SRD5A2 P31213 2/20 0.35
KIF11 P52732 1/20 0.34
KDM1A O60341 1/20 0.34
SIGMAR1 Q99720 2/20 0.34
UTS2R Q9UKP6 2/20 0.33

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
SCHEMBL468349 1.00 BCHE (0.44) BCHESLC6A9SRD5A1SRD5A2KIF11
Hydrochloric Acid SCHEMBL6167375 0.99 BCHE (0.44) BCHESLC6A9SRD5A1SRD5A2KIF11
Hydrochloric Acid SCHEMBL6167370 0.99 BCHE (0.44) BCHESLC6A9SRD5A1SRD5A2KIF11
SCHEMBL5709385 0.95 BCHE (0.42) BCHESLC6A9SRD5A1SRD5A2
SCHEMBL5709469 0.95 BCHE (0.42) BCHESLC6A9SRD5A1SRD5A2
SCHEMBL5709440 0.92 BCHE (0.41) BCHESLC6A9KIF11UTS2R
SCHEMBL5709434 0.92 BCHE (0.41) BCHESLC6A9KIF11UTS2R
SCHEMBL5709486 0.92 BCHE (0.41) BCHESLC6A9KIF11UTS2R
SCHEMBL5709489 0.92 BCHE (0.41) BCHESLC6A9KIF11UTS2R
SCHEMBL5709407 0.89 BCHE (0.39) BCHESLC6A9KIF11KDM1A

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 55 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-1660130-A1 THE COMBINATION OF A SEROTONIN REUPTAKE INHIBITOR AND A GLYCINE TRANSPORTER TYPE 1 INHIBITOR FOR THE TREATMENT OF DEPRESSION H. Lundbeck A/S (DK) 2006-05-31 EP claimed
EP-1301502-B1 COMPOUNDS AND THEIR USE AS GLYCINE TRANSPORT INHIBITORS LUNDBECK & CO AS H (DK) 2005-05-18 EP claimed
WO-2005018676-A1 THE COMBINATION OF A SEROTONIN REUPTAKE INHIBITOR AND A GLYCINE TRANSPORTER TYPE 1 INHIBITOR FOR THE TREATMENT OF DEPRESSION H. LUNDBECK A/S (DK) 2005-03-03 WO 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
EP-3006023-B1 SORBIC ACID AND DERIVATIVES THEREOF TO ENHANCE THE ACTIVITY OF A NEUROPHARMACEUTICAL LOS ANGELES BIOMEDICAL RES INST HARBOR UCLA MEDICAL CT (US) 2019-06-26 EP 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
WO-2005018676-A1 THE COMBINATION OF A SEROTONIN REUPTAKE INHIBITOR AND A GLYCINE TRANSPORTER TYPE 1 INHIBITOR FOR THE TREATMENT OF DEPRESSION H. LUNDBECK A/S (DK) 2005-03-03 WO disclosed
US-20040106975-A1 Rail stent GMP/CARDIAC CARE, INC. 2004-06-03 US disclosed
WO-2004045474-A1 RAIL STENT GMP CARDIAC CARE, INC. (US) 2004-06-03 WO disclosed
US-20040063751-A1 Combination therapy for the treatment of amyotrophic lateral sclerosis (ALS) with cyclooxygenase-2 (COX-2) inhibitor(s) and a second drug PHARMACIA CORPORATION 2004-04-01 US disclosed
WO-2003101380-A2 AMYOTROPHIC LATERAL SCLEROSIS TREATMENT WITH CYCLOOXYGENASE-2 INHIBITORS PHARMACIA CORPORATION (US) 2003-12-11 WO disclosed
US-20030181445-A1 Novel compounds and their use as glycine transport inhibitors H. LUNDBECK A/S (DK) 2003-09-25 US disclosed
EP-1301502-A1 NOVEL COMPOUNDS AND THEIR USE AS GLYCINE TRANSPORT INHIBITORS H. Lundbeck A/S (DK) 2003-04-16 EP disclosed
WO-2002008216-A1 NOVEL COMPOUNDS AND THEIR USE AS GLYCINE TRANSPORT INHIBITORS H. LUNDBECK A/S (DK) 2002-01-31 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 (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-20030181445-A1 Novel compounds and their use as glycine transport inhibitors SLC1A5, SLC7A1, SLC7A11 BCHE 2384/4885SLC6A9 12/4885SRD5A1 1686/4885
US-20060223857-A1 Combination of a serotonin reuptake inhibitor and a glycine transporter type 1 inhibitor for the treatment of depression SLC6A4, SLC6A7, SLC6A5 BCHE 2957/4885SLC6A9 14/4885SRD5A1 1011/4885
US-20040063751-A1 Combination therapy for the treatment of amyotrophic lateral sclerosis (ALS) with cyclooxygenase-2 (COX-2) inhibitor(s) and a second drug SMN1; SMN2, PTGS2, PTGES2 BCHE 169/4885SLC6A9 227/4885SRD5A1 1570/4885

“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.