SCHEMBL3313093

SCHEMBL3313093

CN(C(=O)[C@]1(C(F)(F)F)CCC(=O)N1C)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
POLQ O75417 9/20 0.38
NR1H3 Q13133 2/20 0.36
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.34
NR1H2 P55055 1/20 0.33
PGR P06401 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
SCHEMBL3312802 0.84 POLQ (0.39) ALDH1A1POLQNR1H3KMT2AKDM4E
SCHEMBL2913174 0.71 RIPK1 (0.44) ALDH1A1POLQNR1H3MEN1KMT2A
SCHEMBL13830993 0.65 KMT2A (0.42) ALDH1A1MEN1KMT2AKDM4E
SCHEMBL307624 0.65 KMT2A (0.42) MEN1KMT2AKDM4E
SCHEMBL10481572 0.63 KMT2A (0.50) ALDH1A1POLQNR1H3MEN1KMT2A
SCHEMBL29184152 0.62 PKM (0.43) ALDH1A1MEN1KMT2AKDM4E
SCHEMBL307698 0.62 OPRK1 (0.47) KMT2AKDM4E
SCHEMBL3306087 0.62 POLQ (0.46) ALDH1A1POLQNR1H3
SCHEMBL4746141 0.62 KMT2A (0.51) ALDH1A1POLQNR1H3MEN1KMT2A
SCHEMBL9001838 0.61 PKM (0.45) ALDH1A1NR1H3MEN1KMT2AKDM4E

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-7718693-B2 Receptor antagonists and their methods of use GLAXO GROUP LIMITED (GB) 2010-05-18 US disclosed
WO-2009074518-A1 COMBINATIONS OF PROLINAMIDE P2X7 MODULATORS WITH FURTHER THERAPEUTIC AGENTS GLAXO GROUP LIMITED (GB) 2009-06-18 WO disclosed
US-20080009541-A1 Novel Receptor Antagonists and Their Methods of Use GLAXO GROUP LIMITED (GB) 2008-01-10 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-20080009541-A1 Novel Receptor Antagonists and Their Methods of Use P2RX7, P2RX3, P2RX1 ALDH1A1 2150/4885POLQ 3870/4885NR1H3 459/4885

“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.