SCHEMBL4145039

SCHEMBL4145039

CC(C)(C)CNCc1ccc2c(c1)CCCC2N

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 4/20 0.41
CYP3A4 P08684 1/20 0.41
OPRD1 P41143 8/20 0.40
MCHR1 Q99705 3/20 0.39
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35

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
SCHEMBL1724558 0.88 BDKRB1 (0.43) BDKRB1OPRD1MCHR1ESR1ESR2
SCHEMBL6365663 0.85 BDKRB1 (0.43) BDKRB1OPRD1
SCHEMBL1724631 0.85 BDKRB1 (0.43) BDKRB1OPRD1
SCHEMBL4148482 0.83 BDKRB1 (0.42) BDKRB1OPRD1ESR1ESR2
SCHEMBL4148508 0.82 OPRD1 (0.41) BDKRB1OPRD1ESR1ESR2
SCHEMBL4146769 0.81 OPRD1 (0.42) BDKRB1OPRD1ESR1ESR2
SCHEMBL4140540 0.81 HTR6 (0.44) BDKRB1OPRD1MCHR1
SCHEMBL4157959 0.81 OPRD1 (0.38) BDKRB1OPRD1ESR1ESR2
SCHEMBL4152298 0.80 OPRD1 (0.40) BDKRB1OPRD1ESR1ESR2
SCHEMBL14272132 0.79 CHEK1 (0.41) BDKRB1CYP3A4MCHR1

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 51/4885CYP3A4 70/4885OPRD1 390/4885
US-20090048224-A1 COMPOUNDS AND METHODS OF USE LTC4S, PTGES, LTB4R2 BDKRB1 51/4885CYP3A4 70/4885OPRD1 390/4885

“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.