SCHEMBL5768078

SCHEMBL5768078

Cc1ccccc1CNCCCBr

nearest known ligand 0.73

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 6/20 0.73
▸ SCN8A Q9UQD0 5/20 0.51
▸ CA12 O43570 4/20 0.47
▸ CA2 P00918 4/20 0.47
▸ CA9 Q16790 4/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ HTT P42858 1/20 0.45
▸ TP53 P04637 1/20 0.45
▸ GRIN1 Q05586 3/20 0.45
▸ GRIN2A Q12879 3/20 0.45
▸ BCHE P06276 2/20 0.45
▸ ACHE P22303 2/20 0.45

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
SCHEMBL4913105 0.84 CHRM2 (0.77) CHRM2SCN8ACA12CA2CA9
SCHEMBL5013296 0.83 CHRM2 (0.76) CHRM2SCN8ACA12CA2CA9
SCHEMBL4912089 0.82 CHRM2 (0.81) CHRM2CA12CA2TSHRHTT
SCHEMBL4916612 0.82 CHRM2 (0.81) CHRM2CA12CA2TSHRHTT
SCHEMBL5034679 0.82 CHRM2 (0.81) CHRM2CA12CA2TSHRHTT
SCHEMBL14399064 0.81 CHRM2 (0.73) CHRM2SCN8ACA12CA2CA9
SCHEMBL8616255 0.81 CHRM2 (0.73) CHRM2SCN8ACA12CA2CA9
SCHEMBL5769664 0.81 CHRM2 (0.73) CHRM2SCN8ACA12CA2CA9
SCHEMBL4917141 0.81 CHRM2 (0.72) CHRM2SCN8ACA12CA2CA9
SCHEMBL7605778 0.80 CHRM2 (0.83) CHRM2CA12CA2CA9TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060160794-A1 Tachykinin receptor antagonists ELI LILLY AND COMPANY 2006-07-20 — — US disclosed
EP-1638944-A1 TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2006-03-29 — — EP disclosed
WO-2005000821-A1 TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2005-01-06 — — 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 (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-20060160794-A1 Tachykinin receptor antagonists TACR1, TACR2, PROKR1 CHRM2 1393/4885SCN8A 478/4885CA12 1908/4885

“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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