SCHEMBL3043545

SCHEMBL3043545

O=C(O)C1CN(Cc2ccc(CCc3cccc(C(F)(F)F)c3)cc2)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 16/20 1.00
S1PR5 Q9H228 14/20 1.00
GRK5 P34947 1/20 1.00
CDK8 P49336 1/20 1.00
PDGFRA P16234 2/20 0.74
PIM1 P11309 1/20 0.60
PRKX P51817 1/20 0.59
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
S1PR3 Q99500 3/20 0.52
S1PR4 O95977 2/20 0.52
SIGMAR1 Q99720 1/20 0.52

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
SCHEMBL3027902 0.86 S1PR5 (0.76) S1PR1S1PR5GRK5CDK8PDGFRA
SCHEMBL3034532 0.85 S1PR5 (1.00) S1PR1S1PR5GRK5CDK8PDGFRA
SCHEMBL3037632 0.85 S1PR5 (1.00) S1PR1S1PR5GRK5CDK8PDGFRA
SCHEMBL3027737 0.83 S1PR5 (1.00) S1PR1S1PR5GRK5CDK8S1PR3
SCHEMBL31395097 0.82 S1PR5 (0.70) S1PR1S1PR5GRK5CDK8PDGFRA
SCHEMBL31395035 0.81 S1PR5 (0.82) S1PR1S1PR5GRK5CDK8PDGFRA
SCHEMBL3042200 0.81 S1PR5 (1.00) S1PR1S1PR5GRK5CDK8PDGFRA
SCHEMBL3046848 0.80 S1PR5 (0.74) S1PR1S1PR5GRK5CDK8PDGFRA
SCHEMBL3031534 0.80 S1PR5 (1.00) S1PR1S1PR5GRK5CDK8PDGFRA
SCHEMBL13221512 0.79 S1PR5 (0.77) S1PR1S1PR5GRK5CDK8PDGFRA

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 7 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 disclosed
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 S1PR1 3/4885S1PR5 1/4885GRK5 51/4885

“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.