SCHEMBL3036847

SCHEMBL3036847

O=C(O)C1CN(Cc2ccc(OCc3ccc(Cl)c(Cl)c3)nc2)C1

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 19/20 0.73
S1PR1 P21453 13/20 0.73
HTR2A P28223 1/20 0.73
KCNH2 Q12809 1/20 0.73
SIGMAR1 Q99720 1/20 0.73
PDGFRA P16234 2/20 0.60
ROCK1 Q13464 1/20 0.60
LTK P29376 1/20 0.52
TAOK1 Q7L7X3 1/20 0.52
CD274 Q9NZQ7 1/20 0.50
PRKX P51817 1/20 0.49
ACVR1 Q04771 1/20 0.49

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
SCHEMBL31395137 0.87 S1PR5 (0.67) S1PR5S1PR1HTR2AKCNH2SIGMAR1
SCHEMBL3033989 0.85 S1PR5 (0.69) S1PR5S1PR1HTR2AKCNH2SIGMAR1
SCHEMBL3038019 0.85 S1PR5 (1.00) S1PR5S1PR1HTR2AKCNH2SIGMAR1
SCHEMBL3046848 0.80 S1PR5 (0.74) S1PR5S1PR1HTR2AKCNH2SIGMAR1
SCHEMBL31395154 0.80 S1PR5 (0.73) S1PR5S1PR1HTR2AKCNH2SIGMAR1
SCHEMBL3041640 0.80 S1PR5 (0.73) S1PR5S1PR1HTR2AKCNH2SIGMAR1
SCHEMBL3037819 0.79 S1PR5 (1.00) S1PR5S1PR1HTR2AKCNH2SIGMAR1
SCHEMBL31395233 0.78 S1PR5 (0.55) S1PR5S1PR1HTR2AKCNH2SIGMAR1
SCHEMBL31395108 0.76 S1PR5 (0.71) S1PR5S1PR1HTR2AKCNH2SIGMAR1
SCHEMBL3031532 0.76 S1PR5 (1.00) S1PR5S1PR1HTR2AKCNH2SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2395835-A1 AGONISTS AND ANTAGONISTS OF THE SIP5 RECEPTOR, AND METHODS OF USES THEREOF Abbott Laboratories (US) 2011-12-21 EP claimed
US-20100216762-A1 Agonists and Antagonists of the S1P5 Receptor, and Methods of Use Thereof ABBOTT LABORATORIES (US) 2010-08-26 US claimed
WO-2010093704-A1 AGONISTS AND ANTAGONISTS OF THE S1P5 RECEPTOR, AND METHODS OF USES THEREOF ABBOTT LABORATORIES (US) 2010-08-19 WO claimed
EP-2395835-A1 AGONISTS AND ANTAGONISTS OF THE SIP5 RECEPTOR, AND METHODS OF USES THEREOF Abbott Laboratories (US) 2011-12-21 EP disclosed
US-20100216762-A1 Agonists and Antagonists of the S1P5 Receptor, and Methods of Use Thereof ABBOTT LABORATORIES (US) 2010-08-26 US disclosed
US-20100216762-A1 Agonists and Antagonists of the S1P5 Receptor, and Methods of Use Thereof ABBOTT LABORATORIES (US) 2010-08-26 US disclosed
US-20100216762-A1 Agonists and Antagonists of the S1P5 Receptor, and Methods of Use Thereof ABBOTT LABORATORIES (US) 2010-08-26 US disclosed
WO-2010093704-A1 AGONISTS AND ANTAGONISTS OF THE S1P5 RECEPTOR, AND METHODS OF USES THEREOF ABBOTT LABORATORIES (US) 2010-08-19 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-20100216762-A1 Agonists and Antagonists of the S1P5 Receptor, and Methods of Use Thereof S1PR5, LPAR5, S1PR1 S1PR5 1/4885S1PR1 3/4885HTR2A 69/4885

“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.