SCHEMBL4152491

SCHEMBL4152491

C=C(CNCCO)c1ccc2c(c1)CCCC2N

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 7/20 0.43
HTR6 P50406 1/20 0.36
SMYD3 Q9H7B4 2/20 0.34
OPRD1 P41143 2/20 0.32
ACHE P22303 2/20 0.32
F11 P03951 2/20 0.32
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
TAOK3 Q9H2K8 1/20 0.31

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
SCHEMBL4136765 0.88 BDKRB1 (0.43) BDKRB1HTR6SMYD3OPRD1ACHE
SCHEMBL4149068 0.87 BDKRB1 (0.46) BDKRB1HTR6SMYD3OPRD1ACHE
SCHEMBL4139938 0.84 BDKRB1 (0.37) BDKRB1OPRD1ACHEF11
SCHEMBL4142421 0.84 BDKRB1 (0.44) BDKRB1OPRD1ACHEF11
SCHEMBL4147340 0.82 BDKRB1 (0.43) BDKRB1SMYD3OPRD1ACHEF11
SCHEMBL4146216 0.77 BDKRB1 (0.41) BDKRB1OPRD1
SCHEMBL3532525 0.76 BDKRB1 (0.42) BDKRB1OPRD1
SCHEMBL3535804 0.76 BDKRB1 (0.42) BDKRB1OPRD1
SCHEMBL4136762 0.74 ACHE (0.39) BDKRB1OPRD1ACHEF11
SCHEMBL4148578 0.73 SMYD3 (0.41) SMYD3OPRD1ACHEF11

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 BDKRB1 51/4885HTR6 1147/4885SMYD3 4240/4885
US-20090048224-A1 COMPOUNDS AND METHODS OF USE LTC4S, PTGES, LTB4R2 BDKRB1 51/4885HTR6 1147/4885SMYD3 4240/4885

“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.