SCHEMBL3844078

SCHEMBL3844078

CCCCCCCCc1ccc2c(c1)CCCC(Br)C2=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
HTR2A P28223 2/20 0.39
DRD2 P14416 1/20 0.39
SLC6A2 P23975 1/20 0.39
HTR2C P28335 1/20 0.39
SLC6A4 P31645 1/20 0.39
PRKD3 O94806 1/20 0.39
PRKCG P05129 1/20 0.39
PRKCB P05771 1/20 0.39
PRKCA P17252 1/20 0.39
PRKCH P24723 1/20 0.39
PRKCI P41743 1/20 0.39
PRKCE Q02156 1/20 0.39
PRKCQ Q04759 1/20 0.39
PRKCZ Q05513 1/20 0.39
PRKCD Q05655 1/20 0.39
PRKD1 Q15139 1/20 0.39
GPR3 P46089 1/20 0.39
S1PR1 P21453 5/20 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
SCHEMBL2281531 0.92 THRA (0.44) THRATHRBHTR2ADRD2SLC6A2
SCHEMBL2010435 0.84 HTR2A (0.42) THRATHRBHTR2ADRD2SLC6A2
SCHEMBL3827782 0.80 MAOA (0.48) HTR2ADRD2SLC6A2HTR2CSLC6A4
SCHEMBL2286696 0.79 MAOA (0.50) PRKCIGPR3
SCHEMBL12827736 0.78 GPR3 (0.39) THRATHRBGPR3S1PR1S1PR3
SCHEMBL19883579 0.77 KCNJ1 (0.39) HTR2ADRD2SLC6A2HTR2CSLC6A4
SCHEMBL14495944 0.76 GPR3 (0.46) HTR2ADRD2SLC6A2HTR2CSLC6A4
SCHEMBL2015419 0.76 GPR3 (0.46) HTR2ADRD2SLC6A2HTR2CSLC6A4
SCHEMBL14206102 0.75 S1PR1 (0.42) THRATHRBHTR2ADRD2SLC6A2
Fluoride SCHEMBL27510143 0.75 GPR3 (0.50) HTR2ADRD2SLC6A2HTR2CSLC6A4

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-7915315-B2 Benzocycloheptyl analogs having sphingosine 1-phosphate receptor activity UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2011-03-29 US disclosed
US-20090253761-A1 BENZOCYCLOHEPTYL ANALOGS HAVING SPHINGOSINE 1-PHOSPHATE RECEPTOR ACTIVITY UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2009-10-08 US disclosed
US-20090253761-A1 BENZOCYCLOHEPTYL ANALOGS HAVING SPHINGOSINE 1-PHOSPHATE RECEPTOR ACTIVITY UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2009-10-08 US disclosed
EP-2097371-A2 BENZOCYCLOHEPTYL ANALOGS HAVING SPHINGOSINE 1-PHOSPHATE RECEPTOR ACTIVITY University Of Virginia Patent Foundation (US) 2009-09-09 EP disclosed
WO-2008064337-A2 BENZOCYCLOHEPTYL ANALOGS HAVING SPHINGOSINE 1-PHOSPHATE RECEPTOR ACTIVITY UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2008-05-29 WO disclosed
WO-2008064337-A2 BENZOCYCLOHEPTYL ANALOGS HAVING SPHINGOSINE 1-PHOSPHATE RECEPTOR 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-20090253761-A1 BENZOCYCLOHEPTYL ANALOGS HAVING SPHINGOSINE 1-PHOSPHATE RECEPTOR ACTIVITY S1PR1, S1PR4, S1PR2 THRA 557/4885THRB 203/4885HTR2A 1523/4885

“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.