SCHEMBL13629928

SCHEMBL13629928

CC(=O)C1CCN(C(=O)Cc2ccccc2)CC1

nearest known ligand 0.77

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.77
HSD11B1 P28845 1/20 0.59
ALDH1A1 P00352 5/20 0.58
POLB P06746 4/20 0.58
KDM4E B2RXH2 2/20 0.58
TACR3 P29371 1/20 0.58
MAPT P10636 1/20 0.56
PKM P14618 1/20 0.56
ALOX12 P18054 1/20 0.56
TSHR P16473 1/20 0.56
RECQL P46063 1/20 0.55

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
SCHEMBL7309037 0.87 L3MBTL1 (1.00) L3MBTL1HSD11B1ALDH1A1POLBKDM4E
SCHEMBL27547326 0.85 L3MBTL1 (0.79) L3MBTL1HSD11B1ALDH1A1POLBKDM4E
SCHEMBL14495101 0.85 PKM (0.59) L3MBTL1ALDH1A1POLBMAPTPKM
SCHEMBL24663632 0.85 L3MBTL1 (0.73) L3MBTL1HSD11B1ALDH1A1POLBKDM4E
SCHEMBL8269181 0.85 L3MBTL1 (0.56) L3MBTL1ALDH1A1MAPTPKM
SCHEMBL15014500 0.84 L3MBTL1 (0.71) L3MBTL1HSD11B1ALDH1A1POLBKDM4E
SCHEMBL15498614 0.84 ALDH1A1 (0.78) L3MBTL1HSD11B1ALDH1A1POLBKDM4E
SCHEMBL22549554 0.84 L3MBTL1 (0.71) L3MBTL1HSD11B1ALDH1A1POLBKDM4E
SCHEMBL6210602 0.83 L3MBTL1 (0.75) L3MBTL1HSD11B1ALDH1A1POLBKDM4E
SCHEMBL12424606 0.81 L3MBTL1 (0.68) L3MBTL1HSD11B1ALDH1A1POLBKDM4E

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 4 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
US-7622487-B2 Piperidine derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-24 US disclosed
US-7622487-B2 Piperidine derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-24 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 L3MBTL1 1003/4885HSD11B1 1352/4885ALDH1A1 3648/4885

“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.