SCHEMBL18345000

SCHEMBL18345000

CC(C)(C)OC(=O)N1CC[C@@H](c2ccc(F)c(CC#N)c2)[C@H](COc2ccc3c(c2)OCO3)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.50
SCN9A Q15858 1/20 0.43
CYP3A4 P08684 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
TP53 P04637 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 2/20 0.42
GRK2 P25098 2/20 0.42
ABCB11 O95342 1/20 0.42
LMNA P02545 1/20 0.42
NFKB1 P19838 1/20 0.42
MAPK1 P28482 1/20 0.42
THPO P40225 1/20 0.42
PMP22 Q01453 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 1/20 0.41
CYP2C9 P11712 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NPC1 O15118 1/20 0.41

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
SCHEMBL20336640 1.00 L3MBTL1 (0.50) L3MBTL1SCN9ACYP3A4MEN1KMT2A
SCHEMBL20336638 1.00 L3MBTL1 (0.50) L3MBTL1SCN9ACYP3A4MEN1KMT2A
SCHEMBL18344975 0.89 L3MBTL1 (0.51) L3MBTL1SCN9ACYP3A4MEN1KMT2A
SCHEMBL20336692 0.87 L3MBTL1 (0.52) L3MBTL1GRK2
SCHEMBL6848654 0.87 L3MBTL1 (0.63) L3MBTL1CYP3A4MEN1KMT2ATP53
SCHEMBL4424027 0.87 L3MBTL1 (0.63) L3MBTL1CYP3A4MEN1KMT2ATP53
SCHEMBL4426369 0.87 L3MBTL1 (0.63) L3MBTL1CYP3A4MEN1KMT2ATP53
Hydrochloric Acid SCHEMBL4434782 0.86 L3MBTL1 (0.62) L3MBTL1CYP3A4MEN1KMT2ATP53
SCHEMBL20336728 0.86 L3MBTL1 (0.51) L3MBTL1GRK2
SCHEMBL20336731 0.86 L3MBTL1 (0.51) L3MBTL1GRK2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3313396-B1 G PROTEIN-COUPLED RECEPTOR KINASE INHIBITORS AND METHODS FOR USE OF THE SAME UNIV MICHIGAN REGENTS (US) 2021-12-15 EP disclosed
US-10329283-B2 G protein-coupled receptor kinase inhibitors and methods for use of the same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2019-06-25 US disclosed
US-20180186779-A1 G PROTEIN-COUPLED RECEPTOR KINASE INHIBITORS AND METHODS FOR USE OF THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2018-07-05 US disclosed
EP-3313396-A1 G PROTEIN-COUPLED RECEPTOR KINASE INHIBITORS AND METHODS FOR USE OF THE SAME The Regents of The University of Michigan (US) 2018-05-02 EP disclosed
WO-2016210403-A1 G PROTEIN-COUPLED RECEPTOR KINASE INHIBITORS AND METHODS FOR USE OF THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2016-12-29 WO 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 (2 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-10329283-B2 G protein-coupled receptor kinase inhibitors and methods for use of the same GRK2, GRK4, GRK3 L3MBTL1 4321/4885SCN9A 1660/4885CYP3A4 4742/4885
US-20180186779-A1 G PROTEIN-COUPLED RECEPTOR KINASE INHIBITORS AND METHODS FOR USE OF THE SAME GRK2, GRK4, GRK3 L3MBTL1 4321/4885SCN9A 1660/4885CYP3A4 4742/4885

“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.