SCHEMBL3877478

SCHEMBL3877478

[CH2]C(S)(S)CCCC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.48
SLC22A6 Q4U2R8 2/20 0.48
TSHR P16473 4/20 0.46
NFKB1 P19838 2/20 0.46
PMP22 Q01453 1/20 0.46
FOLH1 Q04609 1/20 0.44
CAMK2A Q9UQM7 1/20 0.42
KMT2A Q03164 3/20 0.40
HDAC11 Q96DB2 3/20 0.40
GABRR3 A8MPY1 1/20 0.40
GABRP O00591 1/20 0.40
GABRD O14764 1/20 0.40
HDAC3 O15379 1/20 0.40
GABBR2 O75899 1/20 0.40
CYP1A2 P05177 1/20 0.40
THRB P10828 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRB1 P18505 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRR1 P24046 1/20 0.40

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
SCHEMBL3865037 0.93 LMNA (0.52) LMNASLC22A6TSHRNFKB1PMP22
SCHEMBL3865019 0.91 TSHR (0.55) LMNASLC22A6TSHRNFKB1PMP22
SCHEMBL3873299 0.91 TSHR (0.55) LMNASLC22A6TSHRNFKB1PMP22
SCHEMBL3867281 0.84
SCHEMBL1751918 0.75 LMNA (0.48) LMNASLC22A6TSHRNFKB1PMP22
SCHEMBL1153638 0.75 LMNA (0.48) LMNASLC22A6TSHRNFKB1PMP22
SCHEMBL3361168 0.75 LMNA (0.48) LMNASLC22A6TSHRNFKB1PMP22
SCHEMBL10919501 0.73 CAMK2A (0.46) LMNASLC22A6TSHRNFKB1PMP22
SCHEMBL28695902 0.71 AKR1B1 (0.46) LMNASLC22A6TSHRNFKB1PMP22
Adipic Acid SCHEMBL4369555 0.71 LMNA (0.92) LMNASLC22A6TSHRNFKB1PMP22

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090149444-A1 Benzylamine analogues BTG INTERNATIONAL LIMITED (GB) 2009-06-11 US disclosed
US-7514475-B2 Benzylamine analogues BTG INTERNATIONAL LIMITED (GB) 2009-04-07 US disclosed
US-7504437-B2 Benzylamine analogues BTG INTERNATIONAL LIMITED (GB) 2009-03-17 US disclosed
US-7504393-B2 Benzylamine analogues BTG INTERNATIONAL LIMITED (GB) 2009-03-17 US disclosed
US-20080255095-A1 Benzylamine analogues BTG INTERNATIONAL LIMITED (GB) 2008-10-16 US disclosed
EP-1362844-B1 BENZYLAMINE ANALOGUE BTG INT LTD (GB) 2007-12-05 EP disclosed
US-20070037795-A1 2-methyl-1-[2-(4-nitrophenoxy)-ethyl]-1,2,3,4-tetrahydroisoquinolin-6-yl dimethylcarbamate; Acetylcholinesterase inhibitors; selective serotonin reuptake inhibitory; Alzheimer's disease, depression, Huntington's chorea, Pick's disease, tardive dyskinesia, compulsive disorders or panic disorders BTG INTERNATIONAL LIMITED (GB) 2007-02-15 US disclosed
US-20070037793-A1 2-methyl-1-[2-(4-nitrophenoxy)-ethyl]-1,2,3,4-tetrahydroisoquinolin-6-yl dimethylcarbamate; Acetylcholinesterase inhibitors; selective serotonin reuptake inhibitory; Alzheimer's disease, depression, Huntington's chorea, Pick's disease, tardive dyskinesia, compulsive disorders or panic disorders BTG INTERNATIONAL LIMITED (GB) 2007-02-15 US disclosed
US-20040067981-A1 Acetylcholinesterase inhibitor; Alzheimer's diseases, Hubtington disease, antidepressants SANKYO COMPANY, LIMITED (JP) 2004-04-08 US disclosed
EP-1362844-A1 BENZYLAMINE ANALOGUE Sankyo Company, Limited (JP) 2003-11-19 EP 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-20070037793-A1 2-methyl-1-[2-(4-nitrophenoxy)-ethyl]-1,2,3,4-tetrahydroisoquinolin-6-yl dimethylcarbamate; Acetylcholinesterase inhibitors; selective serotonin reuptake inhibitory; Alzheimer's disease, depression, Huntington's chorea, Pick's disease, tardive dyskinesia, compulsive disorders or panic disorders CHRNA4, SLC6A4, DRD4 LMNA 4517/4885SLC22A6 344/4885TSHR 236/4885
US-20070037795-A1 2-methyl-1-[2-(4-nitrophenoxy)-ethyl]-1,2,3,4-tetrahydroisoquinolin-6-yl dimethylcarbamate; Acetylcholinesterase inhibitors; selective serotonin reuptake inhibitory; Alzheimer's disease, depression, Huntington's chorea, Pick's disease, tardive dyskinesia, compulsive disorders or panic disorders SLC6A4, SLC6A3, HTR4 LMNA 4414/4885SLC22A6 371/4885TSHR 147/4885
US-20040067981-A1 Acetylcholinesterase inhibitor; Alzheimer's diseases, Hubtington disease, antidepressants ACHE, BACE1, CHRNA6 LMNA 3690/4885SLC22A6 408/4885TSHR 1284/4885
US-20090149444-A1 Benzylamine analogues HTR4, DRD4, SLC6A4 LMNA 3778/4885SLC22A6 229/4885TSHR 89/4885
US-20080255095-A1 Benzylamine analogues NR4A3, NAT1, HRH4 LMNA 4424/4885SLC22A6 473/4885TSHR 442/4885

“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.