SCHEMBL2446601

SCHEMBL2446601

CCOC(=O)C[C@@H]1CCCNC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A1 P30531 4/20 0.44
SLC6A11 P48066 3/20 0.44
SLC6A13 Q9NSD5 3/20 0.44
GABRA5 P31644 2/20 0.44
GABRB2 P47870 2/20 0.44
SLC6A12 P48065 2/20 0.44
EPHX1 P07099 1/20 0.44
GABRA1 P14867 1/20 0.44
GABRR1 P24046 1/20 0.44
GABRA4 P48169 1/20 0.44
CPN1 P15169 1/20 0.42
CPB2 Q96IY4 1/20 0.42
POLB P06746 1/20 0.41
KDM1A O60341 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA4 P43681 1/20 0.39
KMT2A Q03164 2/20 0.39
TSHR P16473 1/20 0.38

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
SCHEMBL567871 1.00 SLC6A1 (0.44) SLC6A1SLC6A11SLC6A13GABRA5GABRB2
SCHEMBL4523217 1.00 SLC6A1 (0.44) SLC6A1SLC6A11SLC6A13GABRA5GABRB2
Hydrochloric Acid SCHEMBL15549279 0.98 EPHX1 (0.43) SLC6A1SLC6A11SLC6A13GABRA5GABRB2
Hydrochloric Acid SCHEMBL6958695 0.98 EPHX1 (0.43) SLC6A1SLC6A11SLC6A13GABRA5GABRB2
Hydrochloric Acid SCHEMBL31041002 0.98 EPHX1 (0.43) SLC6A1SLC6A11SLC6A13GABRA5GABRB2
Hydrochloric Acid SCHEMBL1876593 0.94 SLC6A1 (0.42) SLC6A1SLC6A11SLC6A13GABRA5GABRB2
SCHEMBL15930224 0.90 SLC6A1 (0.56) SLC6A1SLC6A11SLC6A13GABRA5GABRB2
Hydrochloric Acid SCHEMBL30455767 0.88 SLC6A1 (0.55) SLC6A1SLC6A11SLC6A13GABRA5GABRB2
Hydrochloric Acid SCHEMBL6102502 0.88 SLC6A1 (0.55) SLC6A1SLC6A11SLC6A13GABRA5GABRB2
SCHEMBL8414225 0.87 POLB (0.41) SLC6A1SLC6A11SLC6A13GABRA5GABRB2

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10246462-B2 Chemokine receptor modulators and uses thereof FLX BIO, INC. (US) 2019-04-02 US disclosed
WO-2018049271-A1 CHEMOKINE RECEPTOR MODULATORS AND USES THEREOF FLX BIO, INC. (US) 2018-03-15 WO disclosed
US-20180072743-A1 CHEMOKINE RECEPTOR MODULATORS AND USES THEREOF RAPT THERAPEUTICS, INC. 2018-03-15 US disclosed
US-20180072743-A1 CHEMOKINE RECEPTOR MODULATORS AND USES THEREOF RAPT THERAPEUTICS, INC. 2018-03-15 US disclosed
EP-2547673-A1 A SUBSTITUTED PYRIMIDINE AS A PROSTAGLANDIN D2 RECEPTOR ANTAGONIST Aventis Pharmaceuticals Inc. (US) 2013-01-23 EP disclosed
US-20130005741-A1 SUBSTITUTED PYRIMIDINE AS A PROSTAGLANDIN D2 RECEPTOR ANTAGONIST AVENTIS PHARMACEUTICALS INC. (US) 2013-01-03 US disclosed
US-20130005741-A1 SUBSTITUTED PYRIMIDINE AS A PROSTAGLANDIN D2 RECEPTOR ANTAGONIST AVENTIS PHARMACEUTICALS INC. (US) 2013-01-03 US disclosed
US-20130005741-A1 SUBSTITUTED PYRIMIDINE AS A PROSTAGLANDIN D2 RECEPTOR ANTAGONIST AVENTIS PHARMACEUTICALS INC. (US) 2013-01-03 US disclosed
US-20120178738-A1 DIBENZO [B,F] [1,4]OXAZAPINE COMPOUNDS ARYX THERAPEUTICS, INC. (US) 2012-07-12 US disclosed
WO-2011115943-A1 A SUBSTITUTED PYRIMIDINE AS A PROSTAGLANDIN D2 RECEPTOR ANTAGONIST AVENTIS PHARMACEUTICALS INC. (US) 2011-09-22 WO disclosed
US-20090181996-A1 SUBSTITUTED QUINOLONES III BAYER HEALTHCARE AG (DE) 2009-07-16 US disclosed
EP-1719773-B1 FUSED HETEROTETRACYCLIC COMPOUNDS AND USE TEHREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC (JP) 2009-04-15 EP disclosed
US-7504432-B2 Ester derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-03-17 US disclosed
WO-2007090579-A2 SUBSTITUTED QUINOLONES III AICURIS GMBH & CO. KG (DE) 2007-08-16 WO disclosed
US-20070129397-A1 Ester derivatives MSD K.K. (JP) 2007-06-07 US disclosed
US-7192969-B2 Ester derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-03-20 US disclosed
US-20050065211-A1 Ester derivatives MSD K.K. (JP) 2005-03-24 US disclosed
US-6846835-B2 Treating chronic obstructive pulmonary disease, chronic bronchitis, asthma, chronic respiratory tract obstruction, fibroid lung, pulmonary emphysema or rhinitis BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-01-25 US disclosed
US-20030191316-A1 Ester derivatives MSD K.K. (JP) 2003-10-09 US disclosed
EP-1302458-A1 ESTER DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2003-04-16 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 (8 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-20070129397-A1 Ester derivatives CHRM3, CHRM2, CHRM1 SLC6A1 2681/4885SLC6A11 2701/4885SLC6A13 3100/4885
US-20090181996-A1 SUBSTITUTED QUINOLONES III IRF3, TPMT, TOP2A SLC6A1 3159/4885SLC6A11 3581/4885SLC6A13 3194/4885
US-10246462-B2 Chemokine receptor modulators and uses thereof ACKR3, CCR5, CXCR3 SLC6A1 3050/4885SLC6A11 2942/4885SLC6A13 3328/4885
US-20030191316-A1 Ester derivatives CHRM3, CHRM2, CHRM1 SLC6A1 2737/4885SLC6A11 3324/4885SLC6A13 3561/4885
US-20180072743-A1 CHEMOKINE RECEPTOR MODULATORS AND USES THEREOF ACKR3, CCR5, CXCR3 SLC6A1 3050/4885SLC6A11 2942/4885SLC6A13 3328/4885
US-20120178738-A1 DIBENZO [B,F] [1,4]OXAZAPINE COMPOUNDS DBH, DRD4, PSEN1 SLC6A1 56/4885SLC6A11 47/4885SLC6A13 166/4885
US-20050065211-A1 Ester derivatives CHRM3, CHRM2, CHRM1 SLC6A1 2756/4885SLC6A11 2796/4885SLC6A13 3179/4885
US-20130005741-A1 SUBSTITUTED PYRIMIDINE AS A PROSTAGLANDIN D2 RECEPTOR ANTAGONIST PTGDR2, PTGDR, PTGER2 SLC6A1 1991/4885SLC6A11 2004/4885SLC6A13 3114/4885

“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.