SCHEMBL3933586

SCHEMBL3933586

Nc1ccc(CN2CC(C(=O)O)C2)cc1

nearest known ligand 0.69

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 18/20 0.69
S1PR1 P21453 13/20 0.69
S1PR3 Q99500 5/20 0.60
S1PR4 O95977 1/20 0.60

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
SCHEMBL16695243 0.84 S1PR5 (0.82) S1PR5S1PR1S1PR3S1PR4
SCHEMBL565212 0.84 S1PR5 (0.87) S1PR5S1PR1S1PR3S1PR4
SCHEMBL2925566 0.83 SIGMAR1 (0.60) S1PR5S1PR1S1PR3S1PR4
SCHEMBL9915003 0.83 S1PR5 (0.91) S1PR5S1PR1S1PR3S1PR4
SCHEMBL992857 0.83 S1PR5 (0.76) S1PR5S1PR1S1PR3S1PR4
SCHEMBL13215741 0.83 S1PR5 (0.91) S1PR5S1PR1S1PR3S1PR4
SCHEMBL13258595 0.82 S1PR1 (0.56) S1PR5S1PR1S1PR3S1PR4
SCHEMBL3027737 0.81 S1PR5 (1.00) S1PR5S1PR1S1PR3S1PR4
SCHEMBL3042076 0.81 S1PR1 (0.77) S1PR5S1PR1S1PR3S1PR4
SCHEMBL31395234 0.81 S1PR5 (0.48) S1PR5S1PR1S1PR3S1PR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120022041-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-01-26 US disclosed
US-20090069288-A1 Novel therapeutic compounds ABBVIE INC. 2009-03-12 US disclosed
US-20090069288-A1 Novel therapeutic compounds ABBVIE INC. 2009-03-12 US disclosed
US-20090069288-A1 Novel therapeutic compounds ABBVIE INC. 2009-03-12 US disclosed
WO-2009011850-A2 NOVEL THERAPEUTIC COMPOUNDS ABBOTT LABORATORIES (US) 2009-01-22 WO disclosed
WO-2009011850-A2 NOVEL THERAPEUTIC COMPOUNDS ABBOTT LABORATORIES (US) 2009-01-22 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 (2 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-20090069288-A1 Novel therapeutic compounds MAP3K20, RPS6KB1, MAP3K1 S1PR5 2429/4885S1PR1 1120/4885S1PR3 1860/4885
US-20120022041-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS S1PR1, S1PR4, S1PR3 S1PR5 5/4885S1PR1 1/4885S1PR3 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.