SCHEMBL3909199

SCHEMBL3909199

CCCCCCCCCc1ccc(CN2CC[C@](O)(C(=O)OC)C2)cc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 7/20 0.50
S1PR3 Q99500 4/20 0.50
S1PR4 O95977 3/20 0.50
S1PR5 Q9H228 3/20 0.50
HRH3 Q9Y5N1 4/20 0.46
THRA P10827 3/20 0.44
THRB P10828 3/20 0.44
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SPHK1 Q9NYA1 3/20 0.41
SPHK2 Q9NRA0 2/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL3909200 1.00 S1PR1 (0.50) S1PR1S1PR3S1PR4S1PR5HRH3
SCHEMBL6181254 0.88 S1PR1 (0.57) S1PR1S1PR3S1PR4S1PR5HRH3
SCHEMBL6179863 0.88 S1PR1 (0.57) S1PR1S1PR3S1PR4S1PR5HRH3
SCHEMBL6179864 0.78 S1PR1 (0.48) S1PR1S1PR3S1PR4S1PR5HRH3
SCHEMBL6362290 0.78 S1PR1 (0.48) S1PR1S1PR3S1PR4S1PR5HRH3
SCHEMBL4293459 0.76 LMNA (0.54) S1PR1S1PR3S1PR4S1PR5HRH3
SCHEMBL6199477 0.76 S1PR1 (0.62) S1PR1S1PR3S1PR4S1PR5HRH3
SCHEMBL23583415 0.76 S1PR1 (0.55) S1PR1S1PR3S1PR4S1PR5HRH3
SCHEMBL6676503 0.76 S1PR1 (0.55) S1PR1S1PR3S1PR4S1PR5HRH3
SCHEMBL5797072 0.75 S1PR1 (0.60) S1PR1S1PR3S1PR4S1PR5HRH3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7479504-B2 Edg receptor agonists MERCK & CO., INC. (US) 2009-01-20 US disclosed
US-20050033055-A1 Edg receptor agonists MERCK SHARP & DOHME CORP. 2005-02-10 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-20050033055-A1 Edg receptor agonists EDNRA, EDNRB, GPR65 S1PR1 165/4885S1PR3 219/4885S1PR4 298/4885

“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.