SCHEMBL6187650

SCHEMBL6187650

CC(C)(C)OC(=O)N1CCc2ccc(OCCl)cc2C1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 1/20 0.65
▸ ESR2 Q92731 2/20 0.59
▸ HRH3 Q9Y5N1 3/20 0.48
▸ MAPT P10636 2/20 0.45
▸ F10 P00742 3/20 0.45
▸ ABHD6 Q9BV23 2/20 0.45
▸ HDAC8 Q9BY41 2/20 0.45
▸ GPR119 Q8TDV5 1/20 0.45
▸ MAPK1 P28482 1/20 0.44
▸ ESR1 P03372 1/20 0.44
▸ ACACB O00763 1/20 0.43
▸ HDAC1 Q13547 1/20 0.42
▸ MGLL Q99685 1/20 0.42
▸ DDB1 Q16531 1/20 0.42
▸ CRBN Q96SW2 1/20 0.42

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
SCHEMBL6189797 0.87 NR1H2 (0.63) NR1H2ESR2HRH3MAPTF10
SCHEMBL1266229 0.87 NR1H2 (0.63) NR1H2ESR2HRH3MAPTF10
SCHEMBL22755613 0.87 NR1H2 (0.63) NR1H2ESR2HRH3MAPTF10
SCHEMBL18209393 0.87 NR1H2 (0.63) NR1H2ESR2HRH3MAPTF10
SCHEMBL21659498 0.86 NR1H2 (0.62) NR1H2ESR2HRH3MAPTF10
SCHEMBL31013888 0.85 NR1H2 (0.61) NR1H2ESR2HRH3F10ABHD6
SCHEMBL30390692 0.85 NR1H2 (0.70) NR1H2ESR2MAPTABHD6MAPK1
SCHEMBL6438594 0.85 NR1H2 (0.70) NR1H2ESR2MAPTABHD6MAPK1
SCHEMBL29097838 0.85 ESR2 (0.58) NR1H2ESR2HRH3MAPTGPR119
SCHEMBL30199070 0.85 ESR2 (0.58) NR1H2ESR2HRH3MAPTGPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1070714-A9 AMIDINE COMPOUNDS JAPAN TOBACCO INC. (JP) 2005-10-19 — — EP disclosed
EP-1070714-B1 AMIDINE COMPOUNDS JAPAN TOBACCO INC (JP) 2004-08-04 — — EP disclosed
US-20040006099-A1 Amidine compounds JAPAN TOBACCO INC. 2004-01-08 — — US disclosed
US-6562828-B1 Novel amidine compound having a blood coagulation factor Xa inhibitory activity JAPAN TOBACCO INC. (JP) 2003-05-13 — — US disclosed
EP-1070714-A1 AMIDINE COMPOUNDS JAPAN TOBACCO INC. (JP) 2001-01-24 — — EP 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-20040006099-A1 Amidine compounds F2, SERPINC1, F12 NR1H2 507/4885ESR2 3064/4885HRH3 65/4885

“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.

Send feedback