SCHEMBL16252571

SCHEMBL16252571

CC(C)C(=O)N1CC(N(C(=O)C2CC2)C(=O)C2CC2)C1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 4/20 0.46
CHRNA3 P32297 4/20 0.46
CHRNA4 P43681 4/20 0.46
CHRNB3 Q05901 3/20 0.46
CHRNA6 Q15825 3/20 0.46
DPP4 P27487 1/20 0.36
KCNH2 Q12809 1/20 0.36
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36
MAPT P10636 1/20 0.33
PIK3CD O00329 1/20 0.32
CHRNB4 P30926 1/20 0.31
CHRNA7 P36544 1/20 0.31
HPGD P15428 1/20 0.31
EPHX2 P34913 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL21003991 0.83 EPHX2 (0.40) DPP4KCNH2DPP8DPP9EPHX2
SCHEMBL16254582 0.79 CHRNB2 (0.41) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL12448146 0.75 CHRNB2 (0.53) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL20095969 0.72 CHRNB2 (0.50) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL20095914 0.70 CHRNB2 (0.44) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL4546616 0.69 ALDH1A1 (0.54) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL12414289 0.69 L3MBTL3 (0.46) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL12414290 0.69 L3MBTL3 (0.46) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL19652201 0.69 MEN1 (0.47) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL20063334 0.69 CHRNB2 (0.47) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6

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-9586956-B2 Isoquinoline and naphthyridine derivatives GENENTECH, INC. (US) 2017-03-07 US disclosed
US-9586956-B2 Isoquinoline and naphthyridine derivatives GENENTECH, INC. (US) 2017-03-07 US disclosed
US-20140343036-A1 ISOQUINOLINE AND NAPHTHYRIDINE DERIVATIVES GENENTECH, INC. (US) 2014-11-20 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-20140343036-A1 ISOQUINOLINE AND NAPHTHYRIDINE DERIVATIVES NQO1, NDUFC2, NDUFV2 CHRNB2 2715/4885CHRNA3 2241/4885CHRNA4 1739/4885

“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.