SCHEMBL4145560

SCHEMBL4145560

CC(C)(CO)CNCc1ccc2c(c1)OCCC2N

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.35
BDKRB1 P46663 14/20 0.34
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
HTR1A P08908 1/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL4138189 0.84 HTT (0.40) BDKRB1
SCHEMBL4155517 0.84 ALKBH5 (0.34) NPY5RBDKRB1PDCD1CD274HTR1A
SCHEMBL5951049 0.81 BDKRB1 (0.44) BDKRB1
SCHEMBL4154594 0.81 BDKRB1 (0.44) BDKRB1
SCHEMBL4142908 0.81 NPY5R (0.47) NPY5RBDKRB1HTR1A
SCHEMBL3570796 0.78 MAP3K14 (0.41) BDKRB1PDCD1CD274
SCHEMBL3570792 0.78 MAP3K14 (0.41) BDKRB1PDCD1CD274
SCHEMBL4134116 0.77 BDKRB1 (0.43) BDKRB1PDCD1CD274HTR1A
SCHEMBL4149466 0.77 BDKRB1 (0.37) NPY5RBDKRB1PDCD1CD274HTR1A
SCHEMBL4150130 0.77 DPP7 (0.38) NPY5RBDKRB1HTR1AKDM4E

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 NPY5R 1154/4885BDKRB1 51/4885PDCD1 4418/4885
US-20090048224-A1 COMPOUNDS AND METHODS OF USE LTC4S, PTGES, LTB4R2 NPY5R 1154/4885BDKRB1 51/4885PDCD1 4418/4885

“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.