SCHEMBL4138189

SCHEMBL4138189

CC(C)(CO)NCc1ccc2c(c1)OCCC2N

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.40
ALDH1A1 P00352 2/20 0.39
CYP2D6 P10635 2/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
BDKRB1 P46663 16/20 0.38

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
SCHEMBL4154594 0.87 BDKRB1 (0.44) BDKRB1
SCHEMBL5951049 0.87 BDKRB1 (0.44) BDKRB1
SCHEMBL4145560 0.84 NPY5R (0.35) BDKRB1
SCHEMBL3570792 0.79 MAP3K14 (0.41) BDKRB1
SCHEMBL3570796 0.79 MAP3K14 (0.41) BDKRB1
SCHEMBL4142908 0.77 NPY5R (0.47) BDKRB1
SCHEMBL4148884 0.77 CYP3A4 (0.41) HTTALDH1A1CYP2D6MEN1KMT2A
SCHEMBL4155517 0.75 ALKBH5 (0.34) BDKRB1
SCHEMBL4150330 0.74 HRH3 (0.42) HTTALDH1A1CYP2D6MEN1KMT2A
SCHEMBL4155448 0.74 HRH3 (0.45) HTTALDH1A1CYP2D6MEN1KMT2A

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 HTT 1860/4885ALDH1A1 353/4885CYP2D6 48/4885
US-20090048224-A1 COMPOUNDS AND METHODS OF USE LTC4S, PTGES, LTB4R2 HTT 1860/4885ALDH1A1 353/4885CYP2D6 48/4885

“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.