SCHEMBL334961

SCHEMBL334961

COC(=O)C1CCCCCC1N

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.44
SLC6A4 P31645 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM3 P20309 1/20 0.41
CNR2 P34972 1/20 0.40
POLB P06746 1/20 0.38
EPHX1 P07099 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
NPSR1 Q6W5P4 1/20 0.36
THRB P10828 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL335654 1.00 SLC6A2 (0.44) SLC6A2SLC6A4SMN1; SMN2CHRM2CHRM4
SCHEMBL4479084 1.00 SLC6A2 (0.44) SLC6A2SLC6A4SMN1; SMN2CHRM2CHRM4
SCHEMBL12425869 1.00 SLC6A2 (0.44) SLC6A2SLC6A4SMN1; SMN2CHRM2CHRM4
SCHEMBL335653 1.00 SLC6A2 (0.44) SLC6A2SLC6A4SMN1; SMN2CHRM2CHRM4
SCHEMBL4479090 1.00 SLC6A2 (0.44) SLC6A2SLC6A4SMN1; SMN2CHRM2CHRM4
SCHEMBL4479086 1.00 SLC6A2 (0.44) SLC6A2SLC6A4SMN1; SMN2CHRM2CHRM4
Hydrochloric Acid SCHEMBL4491296 0.98 SLC6A2 (0.43) SLC6A2SLC6A4SMN1; SMN2CHRM2CHRM4
Hydrochloric Acid SCHEMBL4491298 0.98 SLC6A2 (0.43) SLC6A2SLC6A4SMN1; SMN2CHRM2CHRM4
Hydrochloric Acid SCHEMBL334959 0.98 SLC6A2 (0.43) SLC6A2SLC6A4SMN1; SMN2CHRM2CHRM4
Hydrochloric Acid SCHEMBL334962 0.98 SLC6A2 (0.43) SLC6A2SLC6A4SMN1; SMN2CHRM2CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8222404-B2 [1,2,4]Thiadiazin-3-yl acetic acid compound and methods of making the acetic acid compound ANADYS PHARMACEUTICALS, INC. (US) 2012-07-17 US disclosed
US-20120116077-A1 [1,2,4]THIADIAZIN-3-YL ACETIC ACID COMPOUND[[S]] AND METHODS OF MAKING THE ACETIC ACID COMPOUND ANADYS PHARMACEUTICALS, INC. (US) 2012-05-10 US disclosed
US-8097613-B2 [1,2,4]thiadiazine 1,1-dioxide compounds ANADYS PHARMACEUTICALS, INC. (US) 2012-01-17 US disclosed
US-20090306057-A1 [1,2,4]THIADIAZINE 1,1-DIOXIDE COMPOUNDS ANADYS PHARMACEUTICALS, INC. (US) 2009-12-10 US disclosed
US-7582626-B2 5,6-dihydro-1H-pyridin-2-one compounds ANADYS PHARMACEUTICALS, INC. (US) 2009-09-01 US disclosed
US-7582626-B2 5,6-dihydro-1H-pyridin-2-one compounds ANADYS PHARMACEUTICALS, INC. (US) 2009-09-01 US disclosed
US-7582626-B2 5,6-dihydro-1H-pyridin-2-one compounds ANADYS PHARMACEUTICALS, INC. (US) 2009-09-01 US disclosed
US-20090111798-A1 5,6-DIHYDRO-1H-PYRIDIN-2-ONE COMPOUNDS ANADYS PHARMACEUTICALS, INC. 2009-04-30 US disclosed
US-20090111798-A1 5,6-DIHYDRO-1H-PYRIDIN-2-ONE COMPOUNDS ANADYS PHARMACEUTICALS, INC. 2009-04-30 US disclosed
US-20090111798-A1 5,6-DIHYDRO-1H-PYRIDIN-2-ONE COMPOUNDS ANADYS PHARMACEUTICALS, INC. 2009-04-30 US disclosed
WO-2008073982-A2 5,6-DIHYDRO-1H-PYRIDIN-2-ONE COMPOUNDS ANADYS PHARMACEUTICALS, INC. (US) 2008-06-19 WO disclosed
US-7084178-B2 Antiamyloid phenylsulfonamides: N-cycloalkylcarboxamides derivatives BRISTOL-MYERS SQUIBB COMPANY (US) 2006-08-01 US disclosed
WO-2005054180-A1 ANTIAMYLOID PHENYLSULFONAMIDES: N-CYCLOALKYLCARBOXAMIDES DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2005-06-16 WO disclosed
US-20050113442-A1 Antiamyloid phenylsulfonamides: N-cycloalkylcarboxamides derivatives BRISTOL-MYERS SQUIBB COMPANY 2005-05-26 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 (4 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-20120116077-A1 [1,2,4]THIADIAZIN-3-YL ACETIC ACID COMPOUND[[S]] AND METHODS OF MAKING THE ACETIC ACID COMPOUND ACMSD, ACACA, ALDH1A1 SLC6A2 4177/4885SLC6A4 4311/4885SMN1; SMN2 3587/4885
US-20090111798-A1 5,6-DIHYDRO-1H-PYRIDIN-2-ONE COMPOUNDS HAVCR2, PYGL, HCCS SLC6A2 4237/4885SLC6A4 3948/4885SMN1; SMN2 1958/4885
US-20050113442-A1 Antiamyloid phenylsulfonamides: N-cycloalkylcarboxamides derivatives APP, PSEN1, PSEN2 SLC6A2 2027/4885SLC6A4 1808/4885SMN1; SMN2 1829/4885
US-20090306057-A1 [1,2,4]THIADIAZINE 1,1-DIOXIDE COMPOUNDS CYP2E1, CYP1A1, CYP1B1 SLC6A2 3894/4885SLC6A4 3789/4885SMN1; SMN2 3269/4885

“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.