SCHEMBL2910544

SCHEMBL2910544

O=C(O)CC1CCC[N]C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A12 P48065 7/20 0.39
SLC6A11 P48066 7/20 0.39
SLC6A13 Q9NSD5 6/20 0.39
SLC6A1 P30531 4/20 0.39
GABRA5 P31644 4/20 0.39
GABRB2 P47870 4/20 0.39
GABRA1 P14867 3/20 0.39
GABRR1 P24046 3/20 0.39
GABRA4 P48169 3/20 0.39
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ANPEP P15144 1/20 0.34
ENPEP Q07075 1/20 0.34
LMNA P02545 1/20 0.32
EPHX1 P07099 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 1/20 0.31
SLC1A3 P43003 2/20 0.30

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
SCHEMBL1858152 0.87
SCHEMBL221946 0.74
SCHEMBL177588 0.74
SCHEMBL231244 0.73
SCHEMBL4164859 0.73
SCHEMBL1378248 0.73 SLC6A12 (0.45) SLC6A12SLC6A11SLC6A13SLC6A1GABRA5
Hydrochloric Acid SCHEMBL8845135 0.72
SCHEMBL17178411 0.72 SLC6A12 (0.48) SLC6A12SLC6A11SLC6A13SLC6A1GABRA5
Water SCHEMBL15821272 0.72 SLC6A12 (0.48) SLC6A12SLC6A11SLC6A13SLC6A1GABRA5
SCHEMBL6946772 0.72 EPHX1 (0.52) SLC6A12SLC6A11SLC6A13SLC6A1GABRA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090036469-A1 2,6-SUBSTITUTED-4-MONOSUBSTITUTED AMINO-PYRIMIDINE AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS SANOFI-AVENTIS (FR) 2009-02-05 US claimed
US-9150561-B2 Thiazole derivatives and use thereof MERCK SERONO S.A. (CH) 2015-10-06 US disclosed
US-20140228365-A1 THIAZOLE DERIVATIVES AND USE THEREOF MERCK SERONO S.A. (CH) 2014-08-14 US disclosed
US-8802861-B2 Thiazole derivatives and use thereof MERCK SERONO SA (CH) 2014-08-12 US disclosed
EP-1591443-B1 PYRAZOLE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2010-08-25 EP disclosed
US-7622471-B2 Pyrazole derivatives having a pyridazine and pyridine functionality DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-11-24 US disclosed
US-20090036469-A1 2,6-SUBSTITUTED-4-MONOSUBSTITUTED AMINO-PYRIMIDINE AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS SANOFI-AVENTIS (FR) 2009-02-05 US disclosed
US-20090029998-A1 Thiazole Derivatives and Use Thereof APPLIED RESEARCH SYSTEM ARS HOLDING N.V. (NL) 2009-01-29 US disclosed
EP-1709019-B1 THIAZOLE DERIVATIVES AND USE THEREOF APPLIED RESEARCH SYSTEMS (AN) 2007-08-08 EP disclosed
EP-1709019-A2 THIAZOLE DERIVATIVES AND USE THEREOF Applied Research Systems ARS Holding N.V. (AN) 2006-10-11 EP disclosed
US-20060189591-A1 Five-membered heterocyclic derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-08-24 US disclosed
US-20060128685-A1 Pyrazole derivative DAIICHI PHARMACEUTICAL CO., LTD., (JP) 2006-06-15 US disclosed
EP-1621537-A1 FIVE-MEMBERED HETEROCYCLIC DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-02-01 EP disclosed
EP-1591443-A1 PYRAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-11-02 EP disclosed
WO-2005068444-A2 THIAZOLE DERIVATIVES AND USE THEREOF APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2005-07-28 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 (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-20140228365-A1 THIAZOLE DERIVATIVES AND USE THEREOF PF4, TEC, PDGFRB SLC6A12 2208/4885SLC6A11 1488/4885SLC6A13 1609/4885
US-20060128685-A1 Pyrazole derivative PTGS1, PTGS2, PTGER1 SLC6A12 4431/4885SLC6A11 1835/4885SLC6A13 2091/4885
US-20060189591-A1 Five-membered heterocyclic derivative PTGS1, PTGIS, PTGS2 SLC6A12 4576/4885SLC6A11 1866/4885SLC6A13 2228/4885
US-20090036469-A1 2,6-SUBSTITUTED-4-MONOSUBSTITUTED AMINO-PYRIMIDINE AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS PTGDR2, PTGDR, PTGER2 SLC6A12 3546/4885SLC6A11 2397/4885SLC6A13 3544/4885
US-20090029998-A1 Thiazole Derivatives and Use Thereof PDGFRB, PDGFRA, TEC SLC6A12 1892/4885SLC6A11 730/4885SLC6A13 891/4885

“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.