SCHEMBL6189777

SCHEMBL6189777

CC(C)(C)OC(=O)N1CCc2ccc(OCC3CCNCC3)cc2C1

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 11/20 0.66
▸ NR1H2 P55055 1/20 0.55
▸ CYP2D6 P10635 1/20 0.54
▸ HRH3 Q9Y5N1 1/20 0.54
▸ ESR2 Q92731 1/20 0.51
▸ ITGB3 P05106 1/20 0.51
▸ ITGA2B P08514 1/20 0.51
▸ ABHD6 Q9BV23 1/20 0.49
▸ GPR119 Q8TDV5 1/20 0.46
▸ RBP4 P02753 1/20 0.46

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
SCHEMBL6673187 0.94 F10 (0.59) F10NR1H2CYP2D6HRH3ESR2
SCHEMBL27229616 0.84 NR1H2 (0.55) F10NR1H2HRH3ESR2ABHD6
SCHEMBL30970509 0.84 NR1H2 (0.55) F10NR1H2HRH3ESR2ABHD6
SCHEMBL13097234 0.84 ESR2 (0.56) F10NR1H2ESR2ABHD6GPR119
SCHEMBL6190182 0.84 F10 (0.56) F10CYP2D6HRH3ITGB3ITGA2B
SCHEMBL6190185 0.84 F10 (0.56) F10CYP2D6HRH3ITGB3ITGA2B
SCHEMBL3874222 0.84 ABHD6 (0.67) F10NR1H2ESR2ABHD6GPR119
SCHEMBL6186177 0.83 F10 (0.70) F10NR1H2
SCHEMBL6190651 0.82 F10 (0.56) F10NR1H2HRH3
SCHEMBL6187650 0.81 NR1H2 (0.65) F10NR1H2HRH3ESR2ABHD6

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 F10 16/4885NR1H2 507/4885CYP2D6 655/4885

“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.

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