SCHEMBL2124233

SCHEMBL2124233

CCCNc1ncc(-c2nc(-c3ccc4c(c3)CCN(C(=O)OC(C)(C)C)CC4)no2)cc1C#N

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 13/20 0.47
S1PR3 Q99500 7/20 0.47
KCNH2 Q12809 3/20 0.45
NR1H2 P55055 1/20 0.40
NR1H3 Q13133 1/20 0.40
RET P07949 2/20 0.39
GPR119 Q8TDV5 2/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
PIK3CD O00329 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
SCHEMBL2124806 0.90 S1PR1 (0.44) S1PR1S1PR3KCNH2RET
SCHEMBL2121734 0.89 S1PR1 (0.45) S1PR1S1PR3KCNH2NR1H2NR1H3
SCHEMBL2123709 0.89 S1PR1 (0.51) S1PR1S1PR3KCNH2
SCHEMBL2130322 0.88 S1PR1 (0.50) S1PR1S1PR3KCNH2NR1H2NR1H3
SCHEMBL2124243 0.87 S1PR1 (0.47) S1PR1S1PR3KCNH2
SCHEMBL2131561 0.87 S1PR1 (0.52) S1PR1S1PR3KCNH2NR1H2NR1H3
Hydrochloric Acid SCHEMBL2123966 0.87 S1PR1 (0.47) S1PR1S1PR3KCNH2
SCHEMBL2121020 0.86 S1PR1 (0.53) S1PR1S1PR3KCNH2NR1H2NR1H3
SCHEMBL2123033 0.86 S1PR1 (0.47) S1PR1S1PR3KCNH2
SCHEMBL2130100 0.85 S1PR1 (0.45) S1PR1S1PR3KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120101083-A1 S1P1 AGONISTS COMPRISING A BICYCLIC N-CONTAINING RING GLAXO GROUP LIMITED (GB) 2012-04-26 US disclosed
US-20120101083-A1 S1P1 AGONISTS COMPRISING A BICYCLIC N-CONTAINING RING GLAXO GROUP LIMITED (GB) 2012-04-26 US disclosed
EP-2443110-A1 S1P1 AGONISTS COMPRISING A BICYCLIC N-CONTAINING RING Glaxo Group Limited (GB) 2012-04-25 EP disclosed
WO-2010146105-A1 S1P1 AGONISTS COMPRISING A BICYCLIC N-CONTAINING RING GLAXO GROUP LIMITED (GB) 2010-12-23 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 (1 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-20120101083-A1 S1P1 AGONISTS COMPRISING A BICYCLIC N-CONTAINING RING S1PR1, S1PR2, S1PR3 S1PR1 1/4885S1PR3 3/4885KCNH2 984/4885

“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.