SCHEMBL468506

SCHEMBL468506

CN(CCCC1(c2ccc(Cl)cc2)CCc2cc(Cl)ccc21)CC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 8/20 0.43
BCHE P06276 6/20 0.43
SRD5A1 P18405 2/20 0.36
SRD5A2 P31213 2/20 0.36
KDM1A O60341 1/20 0.35
NR1I2 O75469 1/20 0.35
ADRB2 P07550 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
CHRM1 P11229 1/20 0.35
DRD2 P14416 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
CHRM3 P20309 1/20 0.35
CNR1 P21554 1/20 0.35
SLC6A2 P23975 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
SLC6A4 P31645 1/20 0.35
ADRA1A P35348 1/20 0.35
PTGS2 P35354 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
Hydrochloric Acid SCHEMBL6169128 0.99 SLC6A9 (0.43) SLC6A9BCHESRD5A1SRD5A2KDM1A
SCHEMBL5709433 0.93 SLC6A9 (0.47) SLC6A9BCHESRD5A1SRD5A2KDM1A
SCHEMBL5709384 0.93 SLC6A9 (0.47) SLC6A9BCHESRD5A1SRD5A2KDM1A
SCHEMBL5709334 0.89 BCHE (0.40) SLC6A9BCHENR1I2ADRB2ADORA3
SCHEMBL5709478 0.87 BCHE (0.42) SLC6A9BCHEALDH1A1
SCHEMBL468350 0.85 BCHE (0.44) SLC6A9BCHESRD5A1SRD5A2KDM1A
SCHEMBL468349 0.85 BCHE (0.44) SLC6A9BCHESRD5A1SRD5A2KDM1A
SCHEMBL5709422 0.85 SLC6A9 (0.42) SLC6A9BCHE
SCHEMBL5709461 0.85 BCHE (0.52) SLC6A9BCHESLC6A4
Hydrochloric Acid SCHEMBL6167370 0.84 BCHE (0.44) SLC6A9BCHESRD5A1SRD5A2KDM1A

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 38 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
EP-1727785-A1 PHENYL INDAN DERIVATIVES H.Lundbeck A/S (DK) 2006-12-06 EP 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
WO-2005087708-A1 PHENYL INDAN DERIVATIVES H. LUNDBECK A/S (DK) 2005-09-22 WO 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
WO-2005087708-A1 PHENYL INDAN DERIVATIVES H. LUNDBECK A/S (DK) 2005-09-22 WO 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
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-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 (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 SLC6A9 12/4885BCHE 2384/4885SRD5A1 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 SLC6A9 14/4885BCHE 2957/4885SRD5A1 1011/4885

“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.