SCHEMBL3207499

SCHEMBL3207499

COC(=O)C1(C(=O)OC)CC1(CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)c1ccc(F)c(Cl)c1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 15/20 0.37
ADRA1A P35348 6/20 0.36
DRD2 P14416 2/20 0.36
CYP3A4 P08684 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CXCR2 P25025 1/20 0.34
ICMT O60725 1/20 0.33

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
SCHEMBL3207678 0.92 CYP3A4 (0.36) HTR1AADRA1ADRD2CYP3A4HTT
SCHEMBL3202555 0.88 OPRM1 (0.44) HTR1ADRD2CYP3A4HTTSMN1; SMN2
SCHEMBL2765720 0.86 MEN1 (0.42) CYP3A4HTTSMN1; SMN2
SCHEMBL2765724 0.82 MEN1 (0.40) CYP3A4HTTSMN1; SMN2
SCHEMBL3207505 0.78 MAPT (0.33) HTR1AADRA1ACYP3A4HTTSMN1; SMN2
SCHEMBL3195997 0.74 SLC6A4 (0.36) HTTSMN1; SMN2
SCHEMBL13382449 0.68 OPRM1 (0.38)
SCHEMBL3194845 0.68 OPRM1 (0.38)
SCHEMBL3205709 0.67 MAOA (0.39) HTR1AADRA1ADRD2CXCR2
SCHEMBL3202561 0.66 OPRM1 (0.40) HTR1ADRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7691893-B2 Chemical compounds GLAXO GROUP LIMITED (GB) 2010-04-06 US disclosed
US-7691893-B2 Chemical compounds GLAXO GROUP LIMITED (GB) 2010-04-06 US disclosed
US-20100035914-A1 AZABICYCLIC COMPOUNDS AS INHIBITORS OF MONOAMINES REUPTAKE BERTANI BARBARA 2010-02-11 US disclosed
US-20100035914-A1 AZABICYCLIC COMPOUNDS AS INHIBITORS OF MONOAMINES REUPTAKE BERTANI BARBARA 2010-02-11 US disclosed
EP-2064186-A1 AZABICYCLIC COMPOUNDS AS INHIBITORS OF MONOAMINES REUPTAKE Glaxo Group Limited (GB) 2009-06-03 EP disclosed
US-20080114049-A1 CHEMICAL COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-05-15 US disclosed
US-20080114049-A1 CHEMICAL COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-05-15 US disclosed
WO-2008031772-A1 AZABICYCLIC COMPOUNDS AS INHIBITORS OF MONOAMINES REUPTAKE GLAXO GROUP LIMITED (GB) 2008-03-20 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-20080114049-A1 CHEMICAL COMPOUNDS SLC6A2, HTR3C, SLC6A3 HTR1A 12/4885ADRA1A 42/4885DRD2 30/4885
US-20100035914-A1 AZABICYCLIC COMPOUNDS AS INHIBITORS OF MONOAMINES REUPTAKE SLC6A2, NPY5R, SLC6A3 HTR1A 22/4885ADRA1A 31/4885DRD2 107/4885

“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.