SCHEMBL6186908

SCHEMBL6186908

c1ccc2c(N3CCC(COc4ccc5c(c4)CNCC5)CC3)ccnc2c1

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 10/20 0.66
▸ NCF1 P14598 2/20 0.48
▸ ADRB2 P07550 1/20 0.48
▸ HRH3 Q9Y5N1 2/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ DRD2 P14416 3/20 0.41
▸ HTR1A P08908 2/20 0.41
▸ HTR2A P28223 2/20 0.41
▸ KCNH2 Q12809 2/20 0.41
▸ DRD3 P35462 1/20 0.40

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
SCHEMBL6187025 0.79 F10 (1.00) F10
SCHEMBL6191924 0.79 F10 (0.62) F10HRH3CYP2D6
SCHEMBL6187651 0.77 F10 (0.74) F10
SCHEMBL30199192 0.76 CD274 (0.50) HRH3
SCHEMBL29097981 0.76 CD274 (0.50) HRH3
SCHEMBL6187417 0.75 F10 (0.69) F10HRH3CYP2D6
SCHEMBL6189575 0.75 F10 (0.59) F10HRH3CYP2D6
SCHEMBL28745013 0.73 F10 (0.49) F10HRH3CYP2D6
SCHEMBL17585079 0.72 HRH3 (0.54) F10HRH3CYP2D6DRD2KCNH2
SCHEMBL6188589 0.72 F10 (0.51) F10HRH3CYP2D6

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 16/4885NCF1 1002/4885ADRB2 1650/4885

“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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