SCHEMBL1180985

SCHEMBL1180985

C[C@@H]1CCn2cncc2C1=O

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.32
CYP11B2 P19099 1/20 0.31
CYP17A1 P05093 1/20 0.30

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
SCHEMBL1180986 1.00 IDO1 (0.32) IDO1CYP11B2CYP17A1
SCHEMBL1181258 1.00 IDO1 (0.32) IDO1CYP11B2CYP17A1
SCHEMBL14218860 0.73
SCHEMBL19659125 0.71 PIK3CD (0.33)
SCHEMBL14249072 0.69 ACHE (0.36)
SCHEMBL947045 0.67
SCHEMBL21265505 0.67 IDO1 (0.33) IDO1
SCHEMBL14249217 0.67
SCHEMBL4726645 0.66
SCHEMBL1180242 0.64 CYP1A2 (0.38) IDO1CYP11B2

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-8263615-B2 Bis-heterocyclic imidazolyl compounds NOVARTIS AG (CH) 2012-09-11 US disclosed
US-8008334-B2 Bis-heterocyclic imidazolyl compounds NOVARTIS AG (CH) 2011-08-30 US disclosed
US-20110028512-A1 BIS-HETEROCYCLIC IMIDAZOLYL COMPOUNDS HEROLD PETER 2011-02-03 US disclosed
US-20090197909-A1 Bis-Heterocyclic Imidazolyl Compounds NOVARTIS AG (CH) 2009-08-06 US disclosed
EP-1957489-A2 BIS-HETEROCYCLIC IMIDAZOLYL COMPOUNDS Speedel Experimenta AG (CH) 2008-08-20 EP disclosed
WO-2007065942-A2 BIS-HETEROCYCLIC IMIDAZOLYL COMPOUNDS SPEEDEL EXPERIMENTA AG (CH) 2007-06-14 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-20110028512-A1 BIS-HETEROCYCLIC IMIDAZOLYL COMPOUNDS CYP11B1, CYP11B2, REN IDO1 2723/4885CYP11B2 2/4885CYP17A1 10/4885
US-20090197909-A1 Bis-Heterocyclic Imidazolyl Compounds REN, CYP11B1, CYP11B2 IDO1 2549/4885CYP11B2 3/4885CYP17A1 13/4885

“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.