SCHEMBL14701616

SCHEMBL14701616

CC(C)C(NC(=O)c1cn(C)cn1)C(C)C

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.40
TAS1R1 Q7RTX1 2/20 0.40
TAS1R2 Q8TE23 1/20 0.40
NTRK1 P04629 1/20 0.38
GSK3B P49841 1/20 0.37
DYRK1A Q13627 1/20 0.37
KDM5A P29375 1/20 0.36
GRM2 Q14416 2/20 0.36
SMYD3 Q9H7B4 1/20 0.36
TGM2 P21980 1/20 0.35
XIAP P98170 1/20 0.35
BIRC2 Q13490 1/20 0.35
KCNA3 P22001 1/20 0.33
GLA P06280 1/20 0.33
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 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
SCHEMBL14704024 0.87 NTRK1 (0.38) TAS1R3TAS1R1TAS1R2NTRK1GSK3B
SCHEMBL14704051 0.87 NTRK1 (0.38) TAS1R3TAS1R1TAS1R2NTRK1GSK3B
SCHEMBL12443623 0.86 CNR1 (0.40) NTRK1GSK3BDYRK1AKDM5AGRM2
SCHEMBL4988236 0.80 GSK3B (0.37) NTRK1GSK3BDYRK1AKDM5AGRM2
SCHEMBL1662858 0.77 BAZ2B (0.46) NTRK1GSK3BDYRK1AKDM5AGRM2
SCHEMBL3301735 0.75 XIAP (0.36) NTRK1GSK3BDYRK1AKDM5AGRM2
SCHEMBL17518681 0.75 GSK3B (0.42) NTRK1GSK3BDYRK1AKDM5AGRM2
SCHEMBL26605437 0.75 GSK3B (0.40) NTRK1GSK3BDYRK1AKDM5AGRM2
SCHEMBL12911102 0.75 P2RX7 (0.42) NTRK1GSK3BDYRK1AKDM5AGRM2
SCHEMBL4988751 0.74 GRM2 (0.37) NTRK1GSK3BDYRK1AKDM5AGRM2

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-9284350-B2 IAP BIR domain binding compounds PHARMASCIENCE INC. (CA) 2016-03-15 US disclosed
US-20130040892-A1 IAP BIR DOMAIN BINDING COMPOUNDS PHARMASCIENCE INC. (CA) 2013-02-14 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-20130040892-A1 IAP BIR DOMAIN BINDING COMPOUNDS BIRC5, BIRC2, BIRC3 TAS1R3 3272/4885TAS1R1 2326/4885TAS1R2 3742/4885

“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.