SCHEMBL3036760

SCHEMBL3036760

N#Cc1ccc(-c2ccc(CN3CC(C(=O)O)C3)cc2)nc1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 16/20 0.53
S1PR5 Q9H228 15/20 0.53
S1PR4 O95977 1/20 0.48
TNK2 Q07912 1/20 0.48
DPP4 P27487 1/20 0.47
DPP8 Q6V1X1 1/20 0.47
S1PR3 Q99500 4/20 0.46

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
SCHEMBL408012 0.84 S1PR5 (0.63) S1PR1S1PR5S1PR4TNK2DPP4
SCHEMBL3041698 0.83 S1PR5 (0.53) S1PR1S1PR5S1PR4S1PR3
SCHEMBL13258595 0.82 S1PR1 (0.56) S1PR1S1PR5S1PR4S1PR3
SCHEMBL3037510 0.79 S1PR1 (0.64) S1PR1S1PR5S1PR4S1PR3
SCHEMBL3041640 0.77 S1PR5 (0.73) S1PR1S1PR5
SCHEMBL3033671 0.77 S1PR1 (0.64) S1PR1S1PR5S1PR4S1PR3
SCHEMBL29818872 0.72 KDM4E (0.54)
SCHEMBL3042076 0.72 S1PR1 (0.77) S1PR1S1PR5S1PR4S1PR3
SCHEMBL8019866 0.72 KDM4E (0.54)
SCHEMBL3027797 0.72 S1PR5 (0.70) S1PR1S1PR5S1PR4TNK2S1PR3

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
CN-102387704-A Agonists and antagonists of the S1P5 receptor, and methods of uses thereof ABBOTT LAB 2012-03-21 CN claimed
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
CN-102387704-A Agonists and antagonists of the S1P5 receptor, and methods of uses thereof ABBOTT LAB 2012-03-21 CN 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

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 S1PR1 3/4885S1PR5 1/4885S1PR4 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.