SCHEMBL3041027

SCHEMBL3041027

O=C(O)C1CN(Cc2ccc(OCc3cccc(F)c3)cc2)C1

nearest known ligand 0.81

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 9/20 0.81
S1PR5 Q9H228 11/20 0.77
S1PR1 P21453 8/20 0.77
PDGFRA P16234 1/20 0.74
HTR2A P28223 1/20 0.69
KCNH2 Q12809 1/20 0.69
SIGMAR1 Q99720 1/20 0.69
MAOA P21397 8/20 0.60
PRKX P51817 2/20 0.59
IKBKE Q14164 1/20 0.59
ACVR1 Q04771 1/20 0.59
LTK P29376 1/20 0.59
TAOK1 Q7L7X3 1/20 0.59

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
SCHEMBL29288185 0.90 MAOB (1.00) MAOBS1PR5S1PR1PDGFRAMAOA
SCHEMBL3042052 0.87 S1PR5 (1.00) MAOBS1PR5S1PR1PDGFRAHTR2A
SCHEMBL3039458 0.87 S1PR5 (1.00) MAOBS1PR5S1PR1PDGFRAHTR2A
SCHEMBL3034496 0.86 S1PR5 (1.00) S1PR5S1PR1PDGFRAHTR2AKCNH2
SCHEMBL3039290 0.86 S1PR5 (0.77) MAOBS1PR5S1PR1PDGFRAHTR2A
SCHEMBL3045029 0.86 S1PR5 (0.77) MAOBS1PR5S1PR1PDGFRAHTR2A
SCHEMBL3037632 0.85 S1PR5 (1.00) MAOBS1PR5S1PR1PDGFRAHTR2A
SCHEMBL3042322 0.85 S1PR5 (0.76) MAOBS1PR5S1PR1PDGFRAHTR2A
SCHEMBL3033578 0.82 S1PR5 (0.71) MAOBS1PR5S1PR1PDGFRAHTR2A
SCHEMBL3038019 0.82 S1PR5 (1.00) S1PR5S1PR1PDGFRAHTR2AKCNH2

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 MAOB 2578/4885S1PR5 1/4885S1PR1 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.