SCHEMBL10140413

SCHEMBL10140413

CO[C@H](C)C(=O)N1CC(C)C1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.41
CHRNB2 P17787 2/20 0.38
CHRNA4 P43681 2/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNB3 Q05901 1/20 0.38
CHRNA6 Q15825 1/20 0.38
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
KDM4E B2RXH2 1/20 0.34
TSHR P16473 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
DPP4 P27487 1/20 0.31
DPP8 Q6V1X1 1/20 0.31
DPP7 Q9UHL4 1/20 0.31
POLB P06746 1/20 0.31
LIPE Q05469 1/20 0.31

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
SCHEMBL3316440 0.83 CHRNB2 (0.38) HPGDCHRNB2CHRNA4CHRNA3CHRNB3
SCHEMBL3316436 0.83 CHRNB2 (0.38) HPGDCHRNB2CHRNA4CHRNA3CHRNB3
SCHEMBL10119971 0.82 CHRNB2 (0.37) HPGDCHRNB2CHRNA4CHRNA3CHRNB3
SCHEMBL16573368 0.82 CHRNB2 (0.37) HPGDCHRNB2CHRNA4CHRNA3CHRNB3
SCHEMBL10119967 0.82 CHRNB2 (0.37) HPGDCHRNB2CHRNA4CHRNA3CHRNB3
SCHEMBL23777010 0.82 CHRNB2 (0.37) HPGDCHRNB2CHRNA4CHRNA3CHRNB3
SCHEMBL11989435 0.80 ALDH1A1 (0.61) HPGDALDH1A1MEN1KMT2APOLB
SCHEMBL13359380 0.78 HPGD (0.41) HPGDALDH1A1MEN1KMT2AKDM4E
SCHEMBL10139548 0.78 CHRNB2 (0.59) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6
SCHEMBL23777040 0.77 CHRNB2 (0.34) HPGDCHRNB2CHRNA4CHRNA3CHRNB3

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
EP-2593455-B1 PURINE COMPOUNDS SELECTIVE FOR I3 P110 DELTA, AND METHODS OF USE HOFFMANN LA ROCHE (CH) 2015-03-18 EP disclosed
US-8293736-B2 Purine compounds selective for PI3K P110 delta, and methods of use F. HOFFMANN LA ROCHE AG (CH) 2012-10-23 US disclosed
US-20120015931-A1 PURINE COMPOUNDS SELECTIVE FOR PI3K P110 DELTA, AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 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-20120015931-A1 PURINE COMPOUNDS SELECTIVE FOR PI3K P110 DELTA, AND METHODS OF USE PIK3CA, PIK3CD, PIK3CG HPGD 3933/4885CHRNB2 1834/4885CHRNA4 1427/4885

“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.