SCHEMBL4148482

SCHEMBL4148482

CC(C)CNCc1ccc2c(c1)CCCC2N

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 2/20 0.42
OPRM1 P35372 1/20 0.40
OPRK1 P41145 1/20 0.40
OPRD1 P41143 7/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
CA2 P00918 2/20 0.34

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
SCHEMBL4152298 0.89 OPRD1 (0.40) BDKRB1OPRM1OPRK1OPRD1ESR1
SCHEMBL4146769 0.87 OPRD1 (0.42) BDKRB1OPRM1OPRK1OPRD1ESR1
SCHEMBL4145039 0.83 BDKRB1 (0.41) BDKRB1OPRD1ESR1ESR2
SCHEMBL4148508 0.81 OPRD1 (0.41) BDKRB1OPRM1OPRK1OPRD1ESR1
SCHEMBL4140540 0.80 HTR6 (0.44) BDKRB1OPRD1
SCHEMBL4157959 0.80 OPRD1 (0.38) BDKRB1OPRD1ESR1ESR2
SCHEMBL1724558 0.79 BDKRB1 (0.43) BDKRB1OPRD1ESR1ESR2
SCHEMBL6365663 0.78 BDKRB1 (0.43) BDKRB1OPRD1
SCHEMBL1724631 0.78 BDKRB1 (0.43) BDKRB1OPRD1
SCHEMBL4145771 0.78 OPRD1 (0.45) OPRD1

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-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
US-20050124654-A1 Compounds and methods of use AMGEN INC. 2005-06-09 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 (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 51/4885OPRM1 272/4885OPRK1 28/4885
US-20090048224-A1 COMPOUNDS AND METHODS OF USE LTC4S, PTGES, LTB4R2 BDKRB1 51/4885OPRM1 272/4885OPRK1 28/4885

“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.