SCHEMBL1973468

SCHEMBL1973468

O=C(O)[C@H]1CC[C@H](n2nnnc2C(F)(F)F)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
HSD11B1 P28845 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
DUSP3 P51452 1/20 0.35
HCAR3 P49019 1/20 0.32
NOTUM Q6P988 1/20 0.32
IDH2 P48735 1/20 0.32
ALDH1A1 P00352 3/20 0.32
LMNA P02545 2/20 0.32
CYP2C19 P33261 2/20 0.32
POLB P06746 1/20 0.32
CYP2C9 P11712 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
MAPT P10636 1/20 0.31
KDM4E B2RXH2 1/20 0.30
CCR2 P41597 1/20 0.30
KCNH2 Q12809 1/20 0.30
PTGER4 P35408 1/20 0.30

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
SCHEMBL1973469 1.00 MEN1 (0.38) MEN1KMT2AHSD11B1L3MBTL1DUSP3
SCHEMBL22722020 0.87 MEN1 (0.37) MEN1KMT2AHSD11B1L3MBTL1ALDH1A1
SCHEMBL22721991 0.87 MEN1 (0.37) MEN1KMT2AHSD11B1L3MBTL1ALDH1A1
SCHEMBL12513277 0.87 MEN1 (0.37) MEN1KMT2AHSD11B1L3MBTL1ALDH1A1
SCHEMBL5269962 0.81 MEN1 (0.39) MEN1KMT2AHSD11B1L3MBTL1HCAR3
SCHEMBL22722036 0.77 MEN1 (0.41) MEN1KMT2AALDH1A1CYP2C9RAB9A
SCHEMBL1969836 0.77 HSD11B1 (0.41) HSD11B1L3MBTL1ALDH1A1CYP2C19NPC1
SCHEMBL1969834 0.77 HSD11B1 (0.41) HSD11B1L3MBTL1ALDH1A1CYP2C19NPC1
SCHEMBL12435470 0.76 MEN1 (0.40) MEN1KMT2AHSD11B1L3MBTL1DUSP3
SCHEMBL22016316 0.76 MEN1 (0.41) MEN1KMT2AHSD11B1L3MBTL1DUSP3

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 9 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
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
EP-2336105-B1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME TAKEDA PHARMACEUTICAL (JP) 2014-02-12 EP disclosed
US-8592454-B2 Nitrogen-containing heterocyclic compound and use of same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-11-26 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 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.