SCHEMBL3040314

SCHEMBL3040314

O=C(O)C1CN(Cc2ccc(OCc3ccccc3)c(Cl)c2)C1

nearest known ligand 0.76

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 18/20 0.76
S1PR1 P21453 15/20 0.76
S1PR4 O95977 1/20 0.66
S1PR3 Q99500 1/20 0.66
HTR2A P28223 1/20 0.64
KCNH2 Q12809 1/20 0.64
SIGMAR1 Q99720 1/20 0.64
PRKX P51817 1/20 0.64
ACVR1 Q04771 1/20 0.64
CD274 Q9NZQ7 2/20 0.58
PDCD1 Q15116 1/20 0.55
LTK P29376 1/20 0.55
TAOK1 Q7L7X3 1/20 0.55
PDGFRA P16234 1/20 0.54

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
SCHEMBL3038130 0.89 S1PR5 (0.80) S1PR5S1PR1S1PR4PRKXACVR1
SCHEMBL3042200 0.86 S1PR5 (1.00) S1PR5S1PR1S1PR4S1PR3HTR2A
SCHEMBL3039409 0.86 S1PR5 (1.00) S1PR5S1PR1S1PR4S1PR3PRKX
SCHEMBL3043859 0.85 S1PR5 (0.78) S1PR5S1PR1S1PR4CD274PDCD1
SCHEMBL3031518 0.84 S1PR5 (0.72) S1PR5S1PR1S1PR4S1PR3CD274
SCHEMBL3034496 0.82 S1PR5 (1.00) S1PR5S1PR1S1PR3HTR2AKCNH2
SCHEMBL3037819 0.82 S1PR5 (1.00) S1PR5S1PR1S1PR4S1PR3HTR2A
SCHEMBL3037872 0.81 S1PR5 (0.79) S1PR5S1PR1S1PR4HTR2AKCNH2
SCHEMBL13415794 0.80 S1PR5 (1.00) S1PR5S1PR1S1PR4S1PR3CD274
SCHEMBL3034565 0.80 S1PR5 (1.00) S1PR5S1PR1S1PR4S1PR3HTR2A

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 9 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
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 3/4885S1PR4 8/4885

“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.