SCHEMBL16252563

SCHEMBL16252563

CC(C)C(=O)N[C@H]1C[C@@H](O)C1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FASN P49327 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
PIK3CD O00329 1/20 0.33
EPHX2 P34913 1/20 0.33
GRM7 Q14831 2/20 0.33
SMYD3 Q9H7B4 1/20 0.33
ATM Q13315 2/20 0.32
KDM5A P29375 1/20 0.32
KDM1A O60341 1/20 0.32
BRD4 O60885 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
SCHEMBL12206769 1.00 FASN (0.36) FASNMTNR1AMTNR1BPIK3CDEPHX2
SCHEMBL12207205 1.00 FASN (0.36) FASNMTNR1AMTNR1BPIK3CDEPHX2
SCHEMBL20697001 0.85 EPHX2 (0.43) FASNMTNR1AMTNR1BPIK3CDEPHX2
SCHEMBL20696892 0.85 EPHX2 (0.43) FASNMTNR1AMTNR1BPIK3CDEPHX2
SCHEMBL20696887 0.85 EPHX2 (0.43) FASNMTNR1AMTNR1BPIK3CDEPHX2
SCHEMBL20697000 0.85 EPHX2 (0.43) FASNMTNR1AMTNR1BPIK3CDEPHX2
SCHEMBL18347977 0.85 EPHX2 (0.43) FASNMTNR1AMTNR1BPIK3CDEPHX2
SCHEMBL23010716 0.84 KDM5A (0.33) EPHX2GRM7SMYD3ATMKDM5A
SCHEMBL22906171 0.84 KDM5A (0.33) EPHX2GRM7SMYD3ATMKDM5A
SCHEMBL22906172 0.84 KDM5A (0.33) EPHX2GRM7SMYD3ATMKDM5A

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 FASN 1561/4885MTNR1A 1696/4885MTNR1B 1031/4885

“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.