SCHEMBL4147234

SCHEMBL4147234

NC1CCOc2cc(CN3CC=CC3)ccc21

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.40
TSHR P16473 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
SLC18A3 Q16572 1/20 0.33
MAP3K14 Q99558 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
PKM P14618 1/20 0.33
NCF1 P14598 1/20 0.33
BDKRB1 P46663 1/20 0.33
MCHR1 Q99705 3/20 0.32

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
SCHEMBL4151501 0.91 CYP2D6 (0.39) CYP2D6TSHRSMN1; SMN2SLC18A3KMT2A
SCHEMBL5950940 0.85 SMN1; SMN2 (0.47) CYP2D6SMN1; SMN2BDKRB1
SCHEMBL5950942 0.85 SMN1; SMN2 (0.47) CYP2D6SMN1; SMN2BDKRB1
SCHEMBL4133986 0.83 LTA4H (0.44) CYP2D6SLC18A3KMT2AKDM4EGAA
SCHEMBL4149726 0.79 ALDH1A1 (0.50) TSHRSMN1; SMN2KMT2AKDM4E
SCHEMBL3570796 0.78 MAP3K14 (0.41) MAP3K14BDKRB1
SCHEMBL3570792 0.78 MAP3K14 (0.41) MAP3K14BDKRB1
SCHEMBL4147058 0.75 KMT2A (0.53) KMT2AKDM4EGAA
SCHEMBL4141579 0.74 KIF11 (0.36) MAP3K14KDM4E
SCHEMBL13926406 0.74 KIF11 (0.36) MAP3K14KDM4E

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 CYP2D6 48/4885TSHR 4705/4885SMN1; SMN2 1190/4885
US-20090048224-A1 COMPOUNDS AND METHODS OF USE LTC4S, PTGES, LTB4R2 CYP2D6 48/4885TSHR 4705/4885SMN1; SMN2 1190/4885

“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.