SCHEMBL4157959

SCHEMBL4157959

CC(NCc1ccc2c(c1)CCCC2N)C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 9/20 0.38
BDKRB1 P46663 1/20 0.35
HPGD P15428 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL6365663 0.82 BDKRB1 (0.43) OPRD1BDKRB1
SCHEMBL1724631 0.82 BDKRB1 (0.43) OPRD1BDKRB1
SCHEMBL4145039 0.81 BDKRB1 (0.41) OPRD1BDKRB1ESR1ESR2
SCHEMBL4148482 0.80 BDKRB1 (0.42) OPRD1BDKRB1ESR1ESR2
SCHEMBL4146769 0.78 OPRD1 (0.42) OPRD1BDKRB1ESR1ESR2
SCHEMBL4152298 0.77 OPRD1 (0.40) OPRD1BDKRB1ESR1ESR2
SCHEMBL18616366 0.75 OPRD1 (0.47) OPRD1ESR1ESR2
SCHEMBL16543141 0.75 OPRD1 (0.47) OPRD1ESR1ESR2
SCHEMBL16543139 0.75 OPRD1 (0.47) OPRD1ESR1ESR2
SCHEMBL1724558 0.74 BDKRB1 (0.43) OPRD1BDKRB1ESR1ESR2

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 OPRD1 390/4885BDKRB1 51/4885HPGD 26/4885
US-20090048224-A1 COMPOUNDS AND METHODS OF USE LTC4S, PTGES, LTB4R2 OPRD1 390/4885BDKRB1 51/4885HPGD 26/4885

“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.