SCHEMBL2812717

SCHEMBL2812717

CCCCCCCCc1ccc2c(c1)CCC(C(C)(N)C(=O)OCC)C2

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 7/20 0.64
▸ S1PR3 Q99500 5/20 0.64
▸ S1PR4 O95977 2/20 0.64
▸ S1PR5 Q9H228 2/20 0.64
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2C8 P10632 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ PPARA Q07869 3/20 0.46
▸ PPARG P37231 2/20 0.46
▸ DRD3 P35462 5/20 0.45
▸ DRD2 P14416 4/20 0.45
▸ HTR2A P28223 2/20 0.39
▸ SLC6A2 P23975 1/20 0.38
▸ HTR2C P28335 1/20 0.38
▸ SLC6A4 P31645 1/20 0.38
▸ KAT8 Q9H7Z6 1/20 0.38

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
SCHEMBL2807971 0.90 S1PR1 (0.61) S1PR1S1PR3S1PR4S1PR5CYP3A4
SCHEMBL2804904 0.87 S1PR1 (0.58) S1PR1S1PR3S1PR4S1PR5CYP3A4
SCHEMBL2283157 0.83 S1PR1 (0.54) S1PR1S1PR3S1PR4S1PR5CYP3A4
SCHEMBL13942298 0.82 S1PR1 (0.67) S1PR1S1PR3S1PR4S1PR5CYP3A4
SCHEMBL13942294 0.82 S1PR1 (0.67) S1PR1S1PR3S1PR4S1PR5CYP3A4
SCHEMBL2806405 0.81 S1PR1 (0.71) S1PR1S1PR3S1PR4S1PR5CYP3A4
SCHEMBL2811629 0.81 S1PR1 (0.71) S1PR1S1PR3S1PR4S1PR5CYP3A4
SCHEMBL2804920 0.81 S1PR1 (0.71) S1PR1S1PR3S1PR4S1PR5CYP3A4
SCHEMBL2808628 0.81 S1PR1 (0.71) S1PR1S1PR3S1PR4S1PR5CYP3A4
SCHEMBL13127506 0.80 S1PR1 (0.74) S1PR1S1PR3S1PR4S1PR5CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100240617-A1 BICYCLIC SPHINGOSINE 1-PHOSPHATE ANALOGS UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2010-09-23 — — US disclosed
US-20100240617-A1 BICYCLIC SPHINGOSINE 1-PHOSPHATE ANALOGS UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2010-09-23 — — US disclosed
EP-2190852-A1 BICYCLIC SPHINGOSINE 1-PHOSPHATE ANALOGS University Of Virginia Patent Foundation (US) 2010-06-02 — — EP disclosed
WO-2009023854-A1 BICYCLIC SPHINGOSINE 1-PHOSPHATE ANALOGS UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2009-02-19 — — 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-20100240617-A1 BICYCLIC SPHINGOSINE 1-PHOSPHATE ANALOGS S1PR1, S1PR4, S1PR3 S1PR1 1/4885S1PR3 3/4885S1PR4 2/4885

“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.

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