SCHEMBL12436705

SCHEMBL12436705

CC(=O)[C@H]1CC[C@H](NC(=O)C2CC2)CC1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.57
MAPK1 P28482 2/20 0.44
L3MBTL1 Q9Y468 3/20 0.42
TSHR P16473 1/20 0.42
GAA P10253 1/20 0.42
EPHX2 P34913 4/20 0.41
HSD17B10 Q99714 1/20 0.41
ALDH1A1 P00352 3/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
LMNA P02545 1/20 0.40
CYP2D6 P10635 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
TYK2 P29597 1/20 0.38
JAK3 P52333 1/20 0.38

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
SCHEMBL12513426 1.00 POLB (0.57) POLBMAPK1L3MBTL1TSHRGAA
SCHEMBL12513455 1.00 POLB (0.57) POLBMAPK1L3MBTL1TSHRGAA
SCHEMBL22722039 1.00 POLB (0.57) POLBMAPK1L3MBTL1TSHRGAA
SCHEMBL12436735 0.94 POLB (0.52) POLBMAPK1L3MBTL1TSHRGAA
SCHEMBL22722008 0.94 POLB (0.52) POLBMAPK1L3MBTL1TSHRGAA
SCHEMBL13321815 0.92 POLB (0.50) POLBMAPK1L3MBTL1TSHRGAA
SCHEMBL18431102 0.90 GAA (0.54) POLBMAPK1L3MBTL1TSHRGAA
SCHEMBL103961 0.88
SCHEMBL24452042 0.88 POLB (0.46) POLBMAPK1L3MBTL1TSHRGAA
SCHEMBL18431055 0.88 MAPT (0.53) POLBMAPK1L3MBTL1TSHRGAA

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-RE49686-E1 Nitrogen-containing heterocyclic compound and use of same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-10-10 US disclosed
US-RE48334-E1 Nitrogen-containing heterocyclic compound and use of same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-12-01 US disclosed
US-20110178060-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-07-21 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-20110178060-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME NTSR2, BDKRB1, AVPR1B POLB 3271/4885MAPK1 1548/4885L3MBTL1 1003/4885

“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.