SCHEMBL3040329

SCHEMBL3040329

O=C(O)C1CN(Cc2ccc(OCc3ccccc3)cc2Cl)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 18/20 1.00
S1PR1 P21453 15/20 1.00
PRKX P51817 2/20 1.00
ACVR1 Q04771 1/20 1.00
PDGFRA P16234 3/20 0.76
PIM1 P11309 1/20 0.76
ROCK1 Q13464 1/20 0.66
LTK P29376 1/20 0.65
TAOK1 Q7L7X3 1/20 0.65
HTR2A P28223 1/20 0.63
KCNH2 Q12809 1/20 0.63
SIGMAR1 Q99720 1/20 0.63
IKBKE Q14164 1/20 0.59
PRKD3 O94806 1/20 0.58
CDK7 P50613 1/20 0.58
JAK3 P52333 1/20 0.58
TNK2 Q07912 1/20 0.58
PDCD1 Q15116 1/20 0.53
CD274 Q9NZQ7 1/20 0.53

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
SCHEMBL3037996 0.87 S1PR5 (1.00) S1PR5S1PR1PRKXACVR1PDGFRA
SCHEMBL3044904 0.86 S1PR1 (1.00) S1PR5S1PR1PRKXACVR1PDGFRA
SCHEMBL3041369 0.86 S1PR5 (0.77) S1PR5S1PR1PRKXACVR1PDGFRA
SCHEMBL3037852 0.84 S1PR5 (0.76) S1PR5S1PR1PRKXACVR1PDGFRA
SCHEMBL3034496 0.84 S1PR5 (1.00) S1PR5S1PR1PRKXACVR1PDGFRA
SCHEMBL29288230 0.80 MAOB (0.77) S1PR5S1PR1PRKXACVR1PDGFRA
SCHEMBL3033996 0.80 S1PR5 (0.78) S1PR5S1PR1PRKXACVR1PDGFRA
SCHEMBL13938036 0.80 S1PR1 (0.78) S1PR5S1PR1PRKXACVR1PDGFRA
SCHEMBL3041779 0.79 S1PR5 (1.00) S1PR5S1PR1PRKXACVR1PDGFRA
SCHEMBL3031325 0.79 S1PR5 (1.00) S1PR5S1PR1PRKXACVR1PDGFRA

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 3/4885PRKX 2082/4885

“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.