Sugi Predict

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SCHEMBL3207678

SCHEMBL3207678

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

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ OPRM1 P35372 2/20 0.34
▸ ABL1 P00519 1/20 0.34
▸ TACR2 P21452 2/20 0.33
▸ TACR1 P25103 2/20 0.33
▸ SLC6A2 P23975 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ SLC6A3 Q01959 1/20 0.33
▸ HTR1A P08908 2/20 0.33
▸ DRD2 P14416 1/20 0.33
▸ ADRA1A P35348 1/20 0.33
▸ OPRL1 P41146 1/20 0.33
▸ SMYD2 Q9NRG4 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
SCHEMBL3207499 0.92 HTR1A (0.37) CYP3A4HTTSMN1; SMN2HTR1ADRD2
SCHEMBL3202555 0.90 OPRM1 (0.44) CYP3A4HTTSMN1; SMN2OPRM1SLC6A2
SCHEMBL2765720 0.88 MEN1 (0.42) CYP3A4HTTSMN1; SMN2MEN1KMT2A
SCHEMBL2765724 0.83 MEN1 (0.40) CYP3A4HTTSMN1; SMN2MEN1KMT2A
SCHEMBL3194845 0.76 OPRM1 (0.38) OPRM1SLC6A2SLC6A4SLC6A3
SCHEMBL13382449 0.76 OPRM1 (0.38) OPRM1SLC6A2SLC6A4SLC6A3
SCHEMBL3207505 0.69 MAPT (0.33) CYP3A4HTTSMN1; SMN2MEN1KMT2A
SCHEMBL3202561 0.67 OPRM1 (0.40) OPRM1SLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL26136031 0.67 MEN1 (0.40) CYP3A4HTTSMN1; SMN2MEN1KMT2A
SCHEMBL3192673 0.67 CCR2 (0.37) OPRM1SLC6A2SLC6A4SLC6A3

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 CYP3A4 76/4885HTT 626/4885SMN1; SMN2 2088/4885
US-20100035914-A1 AZABICYCLIC COMPOUNDS AS INHIBITORS OF MONOAMINES REUPTAKE SLC6A2, NPY5R, SLC6A3 CYP3A4 268/4885HTT 1310/4885SMN1; SMN2 3601/4885

“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.