SCHEMBL1012951

SCHEMBL1012951

c1ccc2c(N3NCCO3)nccc2c1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.54
HRH4 Q9H3N8 1/20 0.47
SORD Q00796 2/20 0.39
COMT P21964 1/20 0.39
CYP2A6 P11509 1/20 0.39
F12 P00748 1/20 0.39
PLAU P00749 1/20 0.39
NCF1 P14598 1/20 0.39
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
BACE1 P56817 1/20 0.39
HCAR2 Q8TDS4 1/20 0.37
AXL P30530 1/20 0.37

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
SCHEMBL2427442 0.70 HRH4 (0.67) HTR2CHRH4SORDAXL
SCHEMBL2076366 0.70 HTR2C (1.00) HTR2CHRH4SORDNCF1
SCHEMBL30614548 0.70 HRH4 (0.67) HTR2CHRH4SORDAXL
SCHEMBL30040877 0.70 HTR2C (1.00) HTR2CHRH4SORDNCF1
SCHEMBL6237477 0.69 PLD1 (0.47)
Hydrochloric Acid SCHEMBL1532881 0.69 HTR2C (0.97) HTR2CHRH4SORDNCF1
SCHEMBL7678395 0.68 HRH4 (0.48) HTR2CHRH4SORDCOMTCYP2A6
SCHEMBL663343 0.68 ALDH1A1 (0.39)
SCHEMBL30275021 0.67 HRH4 (0.73) HTR2CHRH4SORDHCAR2
SCHEMBL29003692 0.67 HRH4 (0.73) HTR2CHRH4SORDHCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2746254-A2 Oxadiazole derivative active on sphingosine-1-phosphate (s1p) Glaxo Group Limited (GB) 2014-06-25 EP disclosed
EP-2225233-B1 OXADIAZOLE DERIVATIVE ACTIVE ON SPHINGOSINE-1-PHOSPHATE (S1P) GLAXO GROUP LTD (GB) 2013-09-04 EP disclosed
EP-2222669-B1 OXADIAZOLE DERIVATIVES ACTIVE ON SPHINGOSINE-1-PHOSPHATE (SIP) GLAXO GROUP LTD (GB) 2013-08-21 EP disclosed
US-8329730-B2 Compounds GLAXO GROUP LIMITED (GB) 2012-12-11 US disclosed
US-8278324-B2 Oxadiazole derivatives active on sphingosine-1-phosphate (S1P) GLAXO GROUP LIMITED (GB) 2012-10-02 US disclosed
US-8263620-B2 Oxadiazole derivatives active on sphingosine-1-phosphate (SIP) GLAXO GROUP LIMITED (GB) 2012-09-11 US disclosed
EP-2271643-B1 OXADIAZOLES AS S1P1 RECEPTOR AGONISTS GLAXO GROUP LTD (GB) 2012-08-15 EP disclosed
US-8222245-B2 Oxadiazole derivatives active on sphingosine-1-phosphate (S1P) GLAXO GROUP LIMITED (GB) 2012-07-17 US disclosed
US-20120101083-A1 S1P1 AGONISTS COMPRISING A BICYCLIC N-CONTAINING RING GLAXO GROUP LIMITED (GB) 2012-04-26 US disclosed
US-20120101086-A1 THIADIAZOLE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF DISORDERS MEDIATED BY S1P1 RECEPTORS GLAXO GROUP LIMITED (GB) 2012-04-26 US disclosed
EP-2222670-A1 OXADIAZOLE DERIVATIVES FOR USE AS S1P1 AGONISTS IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISORDERS Glaxo Group Limited (GB) 2010-09-01 EP disclosed
EP-2220077-A1 1, 2, 4 -OXADIAZOLE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASES Glaxo Group Limited (GB) 2010-08-25 EP disclosed
US-20100174065-A1 COMPOUNDS GLAXO GROUP LIMITED (US) 2010-07-08 US disclosed
US-20100152235-A1 OXADIAZOLE DERIVATIVES ACTIVE ON SPHINGOSINE-1-PHOSPHATE (S1P) GLAXO GROUP LIMITED (GB) 2010-06-17 US disclosed
WO-2009133136-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-11-05 WO disclosed
WO-2009080724-A1 OXADIAZOLE DERIVATIVES ACTIVE ON SPHINGOSINE-1-PHOSPHATE (S1P) GLAXO GROUP LIMITED (GB) 2009-07-02 WO disclosed
WO-2009080725-A1 OXADIAZOLE DERIVATIVES ACTIVE ON SPHINGOSINE-1-PHOSPHATE (SIP) GLAXO GROUP LIMITED (GB) 2009-07-02 WO disclosed
WO-2009080730-A1 1, 2, 4 -OXADIAZOLE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASES GLAXO GROUP LIMITED (GB) 2009-07-02 WO disclosed
WO-2009080729-A1 OXADIAZOLE DERIVATIVES FOR USE AS S1P1 AGONISTS IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISORDERS GLAXO GROUP LIMITED (GB) 2009-07-02 WO disclosed
WO-2009080728-A1 OXADIAZOLE DERIVATIVES ACTIVE ON SPHINGOSINE-1-PHOSPHATE (SIP) GLAXO GROUP LIMITED (GB) 2009-07-02 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 (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-20100152235-A1 OXADIAZOLE DERIVATIVES ACTIVE ON SPHINGOSINE-1-PHOSPHATE (S1P) S1PR3, S1PR1, S1PR2 HTR2C 2313/4885HRH4 1073/4885SORD 673/4885
US-20100174065-A1 COMPOUNDS CYP11B2, CYP11B1, GLS2 HTR2C 449/4885HRH4 454/4885SORD 747/4885
US-20120101086-A1 THIADIAZOLE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF DISORDERS MEDIATED BY S1P1 RECEPTORS S1PR1, S1PR3, S1PR5 HTR2C 373/4885HRH4 144/4885SORD 2634/4885
US-20120101083-A1 S1P1 AGONISTS COMPRISING A BICYCLIC N-CONTAINING RING S1PR1, S1PR2, S1PR3 HTR2C 365/4885HRH4 279/4885SORD 4100/4885

“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.