SCHEMBL12436735

SCHEMBL12436735

CC(=O)C1CCC(NC(=O)C2CCC2)CC1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 2/20 0.44
CYP2D6 P10635 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
GAA P10253 1/20 0.42
ALDH1A1 P00352 5/20 0.42
PKM P14618 1/20 0.42
CYP3A4 P08684 1/20 0.42
RAB9A P51151 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
EPHX2 P34913 3/20 0.41
LMNA P02545 1/20 0.40

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
SCHEMBL22722008 1.00 POLB (0.52) POLBL3MBTL1TSHRMAPK1CYP2D6
SCHEMBL12513455 0.94 POLB (0.57) POLBL3MBTL1TSHRMAPK1CYP2D6
SCHEMBL12436705 0.94 POLB (0.57) POLBL3MBTL1TSHRMAPK1CYP2D6
SCHEMBL22722039 0.94 POLB (0.57) POLBL3MBTL1TSHRMAPK1CYP2D6
SCHEMBL12513426 0.94 POLB (0.57) POLBL3MBTL1TSHRMAPK1CYP2D6
SCHEMBL18431056 0.90 MAPT (0.53) L3MBTL1TSHRMAPK1GAAALDH1A1
SCHEMBL18431055 0.90 MAPT (0.53) POLBL3MBTL1TSHRMAPK1GAA
SCHEMBL18947177 0.90 MAPT (0.53) L3MBTL1TSHRMAPK1GAAALDH1A1
SCHEMBL18431021 0.90 MAPT (0.53) L3MBTL1TSHRMAPK1GAAALDH1A1
SCHEMBL18431102 0.88 GAA (0.54) POLBL3MBTL1TSHRMAPK1GAA

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 7 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-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
EP-2336105-B9 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME TAKEDA PHARMACEUTICAL (JP) 2014-09-17 EP disclosed
US-20110178060-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-07-21 US disclosed
US-20110178060-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-07-21 US disclosed
EP-2336105-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME Takeda Pharmaceutical Company Limited (JP) 2011-06-22 EP 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 3271/4885L3MBTL1 1003/4885TSHR 183/4885

“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.