SCHEMBL2010771

SCHEMBL2010771

CCCCCCCCc1ccc2c(c1)CC(C(N)CO)C2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 8/20 0.47
HTR2A P28223 2/20 0.46
DRD2 P14416 1/20 0.46
SLC6A2 P23975 1/20 0.46
HTR2C P28335 1/20 0.46
SLC6A4 P31645 1/20 0.46
S1PR3 Q99500 5/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C8 P10632 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
S1PR4 O95977 3/20 0.44
S1PR5 Q9H228 3/20 0.44
SPHK1 Q9NYA1 3/20 0.44
PRKD3 O94806 2/20 0.43
PRKCG P05129 2/20 0.43
PRKCB P05771 2/20 0.43
PRKCA P17252 2/20 0.43
PRKCH P24723 2/20 0.43

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
SCHEMBL13942300 0.90 S1PR3 (0.52) S1PR1HTR2ADRD2SLC6A2HTR2C
SCHEMBL5953439 0.90 S1PR3 (0.52) S1PR1HTR2ADRD2SLC6A2HTR2C
SCHEMBL13941700 0.90 S1PR3 (0.52) S1PR1HTR2ADRD2SLC6A2HTR2C
SCHEMBL2288841 0.90 S1PR3 (0.52) S1PR1HTR2ADRD2SLC6A2HTR2C
SCHEMBL2015617 0.82 S1PR1 (0.46) S1PR1HTR2ADRD2SLC6A2HTR2C
SCHEMBL5952458 0.80 S1PR1 (0.49) S1PR1HTR2ADRD2SLC6A2HTR2C
SCHEMBL14457017 0.78 S1PR3 (0.50) S1PR1HTR2ADRD2SLC6A2HTR2C
SCHEMBL13942299 0.78 S1PR1 (0.50) S1PR1HTR2ADRD2SLC6A2HTR2C
SCHEMBL14207629 0.76 S1PR1 (0.62) S1PR1HTR2ADRD2SLC6A2HTR2C
SCHEMBL2011716 0.76 S1PR1 (0.62) S1PR1HTR2ADRD2SLC6A2HTR2C

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-7964649-B2 Hydrindane analogs having sphingosine 1-phosphate receptor agonist activity UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2011-06-21 US disclosed
US-7964649-B2 Hydrindane analogs having sphingosine 1-phosphate receptor agonist activity UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2011-06-21 US disclosed
US-20090253760-A1 HYDRINDANE ANALOGS HAVING SPHINGOSINE 1-PHOSPHATE RECEPTOR AGONIST ACTIVITY UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2009-10-08 US disclosed
US-20090253760-A1 HYDRINDANE ANALOGS HAVING SPHINGOSINE 1-PHOSPHATE RECEPTOR AGONIST ACTIVITY UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2009-10-08 US disclosed
EP-2099741-A2 HYDRINDANE ANALOGS HAVING SPHINGOSINE 1-PHOSPHATE RECEPTOR AGONIST ACTIVITY University Of Virginia Patent Foundation (US) 2009-09-16 EP disclosed
WO-2008064320-A2 HYDRINDANE ANALOGS HAVING SPHINGOSINE 1-PHOSPHATE RECEPTOR AGONIST ACTIVITY UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2008-05-29 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-20090253760-A1 HYDRINDANE ANALOGS HAVING SPHINGOSINE 1-PHOSPHATE RECEPTOR AGONIST ACTIVITY S1PR1, S1PR3, S1PR2 S1PR1 1/4885HTR2A 284/4885DRD2 1608/4885

“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.