SCHEMBL12436842

SCHEMBL12436842

CC(=O)C1CCC(n2nnnc2C)CC1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HSD11B1 P28845 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 2/20 0.36
ALDH1A1 P00352 8/20 0.35
ENPP2 Q13822 1/20 0.34
RAB9A P51151 4/20 0.33
NPC1 O15118 3/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GAA P10253 1/20 0.33
PKM P14618 1/20 0.32
MAPK1 P28482 1/20 0.32
TSHR P16473 1/20 0.32
HCAR3 P49019 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
SCHEMBL12436080 1.00 MEN1 (0.38) MEN1KMT2AHSD11B1L3MBTL1LMNA
SCHEMBL12435470 0.87 MEN1 (0.40) MEN1KMT2AHSD11B1L3MBTL1LMNA
SCHEMBL12437201 0.80 JAK2 (0.42) MEN1KMT2AHSD11B1L3MBTL1LMNA
SCHEMBL22721991 0.78 MEN1 (0.37) MEN1KMT2AHSD11B1L3MBTL1LMNA
SCHEMBL22722020 0.78 MEN1 (0.37) MEN1KMT2AHSD11B1L3MBTL1LMNA
SCHEMBL12513277 0.78 MEN1 (0.37) MEN1KMT2AHSD11B1L3MBTL1LMNA
SCHEMBL22113418 0.76 TSHR (0.50) MEN1KMT2AL3MBTL1LMNAALDH1A1
SCHEMBL9965906 0.72 ALDH1A1 (0.40) MEN1KMT2AALDH1A1ALOX15TDP1
SCHEMBL17001650 0.72 ALOX15 (0.45) MEN1KMT2ALMNAALDH1A1ENPP2
Hydrochloric Acid SCHEMBL22528409 0.70 ALDH1A1 (0.39) MEN1KMT2AALDH1A1ALOX15TDP1

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 2 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-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 MEN1 209/4885KMT2A 1146/4885HSD11B1 1352/4885

“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.