SCHEMBL744402

SCHEMBL744402

COC(c1ccc(I)cc1)C1CC1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.47
IDO1 P14902 4/20 0.41
SLC6A2 P23975 1/20 0.40
ACACB O00763 1/20 0.38
SLC6A3 Q01959 2/20 0.37
FPR2 P25090 3/20 0.36
PROKR1 Q8TCW9 3/20 0.36
EPHX1 P07099 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
Iodide SCHEMBL744206 0.98 SLC6A4 (0.46) SLC6A4IDO1SLC6A2ACACBSLC6A3
SCHEMBL16979030 0.82 SLC6A4 (0.49) SLC6A4IDO1SLC6A2SLC6A3FPR2
SCHEMBL4598274 0.80 SLC6A4 (0.47) SLC6A4IDO1SLC6A2FPR2PROKR1
SCHEMBL11248115 0.80 SLC6A4 (0.47) SLC6A4IDO1SLC6A2SLC6A3FPR2
SCHEMBL19144912 0.79 IDO1 (0.64) SLC6A4IDO1SLC6A2SLC6A3FPR2
SCHEMBL18253202 0.77 SLC6A4 (0.45) SLC6A4IDO1SLC6A2FPR2PROKR1
SCHEMBL3137822 0.77 EPHX1 (0.53) SLC6A4IDO1SLC6A2FPR2PROKR1
SCHEMBL6347241 0.76 SLC6A4 (0.43) SLC6A4IDO1SLC6A2SLC6A3FPR2
SCHEMBL4644770 0.72 SLC6A4 (0.44) SLC6A4IDO1SLC6A2SLC6A3FPR2
SCHEMBL12066334 0.71 IDO1 (0.68) SLC6A4IDO1SLC6A2SLC6A3FPR2

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
EP-2430023-B1 AZACYCLIC SPIRODERIVATIVES AS HSL INHIBITORS HOFFMANN LA ROCHE (CH) 2013-12-11 EP disclosed
US-8329904-B2 Azacyclic derivatives HOFFMANN-LA ROCHE INC. (US) 2012-12-11 US disclosed
CN-102421777-A Azacyclospiro derivatives as HSL inhibitors HOFFMANN LA ROCHE 2012-04-18 CN disclosed
EP-2430023-A1 AZACYCLIC SPIRODERIVATIVES AS HSL INHIBITORS F. Hoffmann-La Roche AG (CH) 2012-03-21 EP disclosed
WO-2010130665-A1 AZACYCLIC SPIRODERIVATIVES AS HSL INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-11-18 WO disclosed
US-20100292212-A1 NEW AZACYCLIC DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-11-18 US 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-20100292212-A1 NEW AZACYCLIC DERIVATIVES GPR119, LDLR, LPL SLC6A4 4355/4885IDO1 2467/4885SLC6A2 4298/4885

“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.