SCHEMBL2122311

SCHEMBL2122311

CC(C)Nc1ccc(-c2nc(-c3ccc4c(c3)CCNCC4)no2)cc1C#N

nearest known ligand 0.70

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 19/20 0.70
▸ KCNH2 Q12809 3/20 0.64
▸ S1PR3 Q99500 8/20 0.62
▸ POLB P06746 1/20 0.41

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
SCHEMBL2602075 0.88 S1PR1 (0.61) S1PR1KCNH2S1PR3
SCHEMBL2121449 0.86 S1PR1 (0.71) S1PR1KCNH2S1PR3
Hydrochloric Acid SCHEMBL2120745 0.85 S1PR1 (0.70) S1PR1KCNH2S1PR3
SCHEMBL2120829 0.85 S1PR1 (0.62) S1PR1KCNH2S1PR3
SCHEMBL23524130 0.84 S1PR1 (0.51) S1PR1KCNH2S1PR3POLB
SCHEMBL30355557 0.84 S1PR1 (0.51) S1PR1KCNH2S1PR3POLB
SCHEMBL23524086 0.84 S1PR1 (0.51) S1PR1KCNH2S1PR3POLB
SCHEMBL2602064 0.82 S1PR1 (1.00) S1PR1KCNH2S1PR3
SCHEMBL23524412 0.82 S1PR1 (0.48) S1PR1KCNH2S1PR3POLB
SCHEMBL30355574 0.82 S1PR1 (0.48) S1PR1KCNH2S1PR3POLB

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 5 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
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 1/4885KCNH2 984/4885S1PR3 3/4885

“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.

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