SCHEMBL4136762

SCHEMBL4136762

C=C(CN(C)C1CC1)c1ccc2c(c1)CCCC2N

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.39
OPRD1 P41143 8/20 0.38
ALDH1A1 P00352 1/20 0.37
HTT P42858 1/20 0.37
BDKRB1 P46663 1/20 0.36
F11 P03951 1/20 0.32

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
SCHEMBL4142421 0.78 BDKRB1 (0.44) ACHEOPRD1BDKRB1F11
SCHEMBL4147340 0.77 BDKRB1 (0.43) ACHEOPRD1ALDH1A1BDKRB1F11
SCHEMBL4146216 0.76 BDKRB1 (0.41) OPRD1ALDH1A1BDKRB1
SCHEMBL3532525 0.75 BDKRB1 (0.42) OPRD1ALDH1A1BDKRB1
SCHEMBL3535804 0.75 BDKRB1 (0.42) OPRD1ALDH1A1BDKRB1
SCHEMBL4136765 0.74 BDKRB1 (0.43) ACHEOPRD1BDKRB1F11
SCHEMBL4152491 0.74 BDKRB1 (0.43) ACHEOPRD1BDKRB1F11
SCHEMBL4139938 0.74 BDKRB1 (0.37) ACHEOPRD1BDKRB1F11
SCHEMBL8255867 0.73 ACHE (0.38) ACHEOPRD1
SCHEMBL4149068 0.72 BDKRB1 (0.46) ACHEOPRD1BDKRB1F11

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
US-20090048224-A1 COMPOUNDS AND METHODS OF USE AMGEN, INC. (US) 2009-02-19 US disclosed
US-7425631-B2 Compounds and methods of use AMGEN INC. (US) 2008-09-16 US disclosed
EP-1631542-A1 BICYCLIC COMPOUNDS HAVING BRADYKININ RECEPTORS AFFINITY AND PHARMACEUTICAL COMPOSITIONS THEREOF Amgen, Inc. (US) 2006-03-08 EP disclosed
US-20050124654-A1 Compounds and methods of use AMGEN INC. 2005-06-09 US disclosed
WO-2004092116-A1 BICYCLIC COMPOUNDS HAVING BRADYKININ RECEPTORS AFFINITY AND PHARMACEUTICAL COMPOSITIONS THEREOF AMGEN, INC. (US) 2004-10-28 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 (2 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-20050124654-A1 Compounds and methods of use LTC4S, PTGES, LTB4R2 ACHE 32/4885OPRD1 390/4885ALDH1A1 353/4885
US-20090048224-A1 COMPOUNDS AND METHODS OF USE LTC4S, PTGES, LTB4R2 ACHE 32/4885OPRD1 390/4885ALDH1A1 353/4885

“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.