SCHEMBL12436903

SCHEMBL12436903

CC(=O)C1(CNC(=O)c2ccccc2)CCOCC1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.57
L3MBTL1 Q9Y468 2/20 0.54
SLC6A9 P48067 1/20 0.51
LMNA P02545 4/20 0.50
SMN1; SMN2 Q16637 4/20 0.48
NPSR1 Q6W5P4 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
MAPT P10636 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
HTT P42858 1/20 0.48
RAB9A P51151 1/20 0.48
P2RX7 Q99572 2/20 0.47
GAA P10253 3/20 0.45
KDM4E B2RXH2 1/20 0.44
POLB P06746 2/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL25327736 0.82 ALDH1A1 (0.60) ALDH1A1L3MBTL1SLC6A9LMNASMN1; SMN2
SCHEMBL8640906 0.77 LMNA (0.59) ALDH1A1L3MBTL1SLC6A9LMNASMN1; SMN2
SCHEMBL12436902 0.76 OPRM1 (0.33) ALDH1A1L3MBTL1NPSR1HTTP2RX7
SCHEMBL21198730 0.75 ALDH1A1 (0.51) ALDH1A1L3MBTL1LMNASMN1; SMN2NPSR1
SCHEMBL30914523 0.73 LMNA (0.59) ALDH1A1L3MBTL1LMNASMN1; SMN2NPSR1
SCHEMBL12095573 0.73 L3MBTL1 (0.76) ALDH1A1L3MBTL1LMNASMN1; SMN2NPSR1
SCHEMBL15075064 0.73 ALDH1A1 (1.00) ALDH1A1L3MBTL1LMNASMN1; SMN2NPSR1
SCHEMBL30967279 0.73 NAMPT (0.62) ALDH1A1L3MBTL1LMNASMN1; SMN2P2RX7
SCHEMBL1756726 0.73 LMNA (0.63) ALDH1A1L3MBTL1SLC6A9LMNASMN1; SMN2
SCHEMBL12436906 0.72 TSHR (0.35) ALDH1A1L3MBTL1LMNASMN1; SMN2CYP3A4

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
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
WO-2010032856-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME 武田薬品工業株式会社 (JP) 2010-03-25 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 (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 ALDH1A1 3648/4885L3MBTL1 1003/4885SLC6A9 1274/4885

“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.