SCHEMBL7068835

SCHEMBL7068835

CCOC(=O)c1cncn1C[C@H]1CC[C@H]2CN(C(=O)OC)[C@H](C(=O)OCC)C[C@H]2C1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 4/20 0.32
CYP11B1 P15538 3/20 0.32
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 2/20 0.32
GABRA1 P14867 2/20 0.32
GABRB2 P47870 2/20 0.32
LMNA P02545 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
ABCB11 O95342 1/20 0.32
GABRA2 P47869 1/20 0.32

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
SCHEMBL7065316 0.84 DHFR (0.32)
SCHEMBL7066267 0.83 DHFR (0.33)
SCHEMBL7066181 0.80 USP30 (0.36)
SCHEMBL6791730 0.77 NR1H2 (0.36) CYP3A4LMNA
SCHEMBL6328305 0.77 NR1H2 (0.36) CYP3A4LMNA
SCHEMBL6327631 0.77 CYP3A4 (0.33) CYP3A4
SCHEMBL6330323 0.77 CYP3A4 (0.33) CYP3A4
Hydrochloric Acid SCHEMBL7066452 0.77 CYP1A2 (0.38) CYP11B2CYP11B1CYP1A2CYP3A4GABRA1
SCHEMBL7068838 0.77 CYP1A2 (0.33) CYP11B2CYP11B1CYP1A2CYP3A4GABRA1
SCHEMBL6324214 0.76 CYP3A4 (0.34) CYP3A4LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6579886-B2 Ionotropic glutamate receptors; 6-((4-carboxylic acid-1H-imidazol-1-yl)methyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3 -carboxylic acid ELI LILLY AND COMPANY 2003-06-17 US disclosed
US-20030055081-A1 Selective iglur5 receptor antagonists ELI LILLY AND COMPANY 2003-03-20 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-20030055081-A1 Selective iglur5 receptor antagonists GRM5, GRIK5, GPR35 CYP11B2 825/4885CYP11B1 1115/4885CYP1A2 1518/4885

“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.