SCHEMBL6045057

SCHEMBL6045057

CN(CCCCC(=O)NCCC1CCN(c2ccncc2)CC1)S(=O)(=O)c1c(Cl)cccc1Cl

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ BDKRB1 P46663 12/20 0.48
▸ HDAC3 O15379 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ F10 P00742 4/20 0.41
▸ LSS P48449 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ CHRM1 P11229 1/20 0.39

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
SCHEMBL5628643 0.78 BDKRB1 (0.50) BDKRB1F10
SCHEMBL3440370 0.77 BDKRB1 (0.46) BDKRB1F10
SCHEMBL4793955 0.72 BDKRB1 (0.49) BDKRB1F10SMN1; SMN2
SCHEMBL3440068 0.71 CHRM1 (0.48) BDKRB1LMNACHRM1
SCHEMBL4714421 0.71 BDKRB1 (0.48) BDKRB1F10CHRM1
SCHEMBL3439976 0.71 CHRM1 (0.47) F10CHRM1
SCHEMBL5842753 0.70 BDKRB1 (0.51) BDKRB1F10
SCHEMBL13941265 0.69 F10 (0.42) BDKRB1F10LMNAHTTSMN1; SMN2
SCHEMBL3440375 0.69 BDKRB1 (0.46) BDKRB1F10
SCHEMBL12914413 0.69 USP2 (0.48) BDKRB1LMNA

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-20060217362-A1 Novel compounds useful for bradykinin B1 receptor antagonism ELAN PHARMACEUTICALS, INC. 2006-09-28 — — US claimed
US-20060217362-A1 Novel compounds useful for bradykinin B1 receptor antagonism ELAN PHARMACEUTICALS, INC. 2006-09-28 — — 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-20060217362-A1 Novel compounds useful for bradykinin B1 receptor antagonism BDKRB1, BDKRB2, NPBWR1 BDKRB1 1/4885HDAC3 4193/4885HDAC1 3132/4885

“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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