SCHEMBL4133986

SCHEMBL4133986

NC1CCOc2cc(CN3CCC(O)CC3)ccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.44
ALDH1A1 P00352 3/20 0.43
CYP2D6 P10635 2/20 0.43
RAB9A P51151 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 2/20 0.43
POLB P06746 1/20 0.43
NPC1 O15118 1/20 0.42
PRMT5 O14744 1/20 0.42
WDR77 Q9BQA1 1/20 0.42
SLC18A3 Q16572 1/20 0.41
HRH3 Q9Y5N1 2/20 0.40
ACHE P22303 1/20 0.40
PARP1 P09874 1/20 0.39
PDCD1 Q15116 2/20 0.39
CD274 Q9NZQ7 2/20 0.39
GAA P10253 1/20 0.39
MCHR1 Q99705 1/20 0.39
OPRD1 P41143 1/20 0.39

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
SCHEMBL5950940 0.87 SMN1; SMN2 (0.47) ALDH1A1CYP2D6POLBHRH3
SCHEMBL5950942 0.87 SMN1; SMN2 (0.47) ALDH1A1CYP2D6POLBHRH3
SCHEMBL4149726 0.85 ALDH1A1 (0.50) LTA4HALDH1A1KMT2AKDM4EPOLB
SCHEMBL4147234 0.83 CYP2D6 (0.40) CYP2D6KMT2AKDM4ESLC18A3GAA
SCHEMBL4151501 0.80 CYP2D6 (0.39) LTA4HCYP2D6KMT2AKDM4ESLC18A3
SCHEMBL13614279 0.78 MAP3K14 (0.50) LTA4HCYP2D6PRMT5WDR77SLC18A3
SCHEMBL3570792 0.78 MAP3K14 (0.41) PDCD1CD274
SCHEMBL3570796 0.78 MAP3K14 (0.41) PDCD1CD274
SCHEMBL4147058 0.77 KMT2A (0.53) LTA4HALDH1A1KMT2AKDM4EPDCD1
SCHEMBL10586841 0.73 LTB4R (0.50) ALDH1A1RAB9AKDM4EPOLBGAA

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 2 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20090048224-A1 COMPOUNDS AND METHODS OF USE LTC4S, PTGES, LTB4R2 LTA4H 17/4885ALDH1A1 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.