SCHEMBL2837534

SCHEMBL2837534

CC1(COc2ccc(C(O)C(NC(=O)OC(C)(C)C)c3ccc(Cl)c(Cl)c3)c(F)c2)COC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 1/20 0.39
SCN5A Q14524 1/20 0.39
SCN8A Q9UQD0 1/20 0.39
FFAR1 O14842 1/20 0.36
S1PR3 Q99500 2/20 0.36
ACACB O00763 1/20 0.35
CACNA1H O95180 6/20 0.34
CACNA1G O43497 1/20 0.34
CACNA1I Q9P0X4 1/20 0.34
P2RX3 P56373 1/20 0.33
P2RX2 Q9UBL9 1/20 0.33
PIK3C3 Q8NEB9 1/20 0.32
MITF O75030 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL2839100 0.89 ACACB (0.40) SCN1ASCN5ASCN8AFFAR1S1PR3
SCHEMBL2836695 0.83 S1PR3 (0.41) SCN1ASCN5ASCN8AS1PR3ACACB
SCHEMBL2836530 0.82 FFAR1 (0.36) FFAR1S1PR3ACACBMITFLMNA
SCHEMBL2837636 0.80 RAB9A (0.39) ACACBMITFLMNAMAPTMAPK1
SCHEMBL7812533 0.80 FFAR1 (0.38) SCN1ASCN5ASCN8AFFAR1ACACB
SCHEMBL2839558 0.79 ACACB (0.43) S1PR3ACACBMAPK1
SCHEMBL2836702 0.78 S1PR3 (0.44) FFAR1S1PR3ACACBCACNA1HCACNA1G
SCHEMBL3376606 0.71 ACACB (0.46) FFAR1S1PR3ACACBCACNA1HCACNA1G
SCHEMBL3376605 0.71 ACACB (0.46) FFAR1S1PR3ACACBCACNA1HCACNA1G
SCHEMBL30703523 0.71 PTPN1 (0.37) S1PR3ACACBMAPTHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8367838-B2 Amines or amino alcohols as GLYT1 inhibitors HOFFMANN-LA ROCHE INC. (US) 2013-02-05 US disclosed
US-20120232033-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS KOLCZEWSKI SABINE (DE) 2012-09-13 US disclosed
EP-2398558-A1 AMINE OR AMINO ALCOHOLS AS GLYT1 INHIBITORS F. Hoffmann-La Roche AG (CH) 2011-12-28 EP disclosed
WO-2010094659-A1 AMINE OR AMINO ALCOHOLS AS GLYT1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-08-26 WO disclosed
US-20100210592-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS HOFFMANN-LA ROCHE, INC. 2010-08-19 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-20120232033-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS GFPT1, CEPT1, SLC18A2 SCN1A 842/4885SCN5A 2087/4885SCN8A 2608/4885
US-20100210592-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS GFPT1, CEPT1, SLC18A2 SCN1A 842/4885SCN5A 2087/4885SCN8A 2608/4885

“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.