SCHEMBL12437006

SCHEMBL12437006

CCS(=O)(=O)N1CCC(C(C)=O)CC1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.56
MAPT P10636 3/20 0.54
LMNA P02545 4/20 0.54
MAPK1 P28482 1/20 0.54
L3MBTL1 Q9Y468 3/20 0.53
TP53 P04637 1/20 0.53
TSHR P16473 2/20 0.51
CYP3A4 P08684 1/20 0.50
POLB P06746 3/20 0.49
KDM4E B2RXH2 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
KMT2A Q03164 1/20 0.48
PKM P14618 1/20 0.48
ALDH1A1 P00352 1/20 0.47
HTT P42858 1/20 0.47
CYP2C19 P33261 1/20 0.47

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
SCHEMBL12513698 0.83 EPHX2 (0.46) GAAMAPTLMNAMAPK1L3MBTL1
SCHEMBL22749233 0.82 SMN1; SMN2 (0.60) GAAMAPTLMNAMAPK1L3MBTL1
SCHEMBL17244091 0.81 TP53 (0.44) GAAMAPTLMNAMAPK1L3MBTL1
SCHEMBL12437005 0.81 TP53 (0.63) MAPTL3MBTL1TP53TSHRPOLB
SCHEMBL13411083 0.81 EPHX2 (0.49) GAAMAPTLMNAMAPK1L3MBTL1
SCHEMBL12437008 0.79 EPHX2 (0.53) GAAMAPTLMNAMAPK1L3MBTL1
SCHEMBL21670259 0.77 TSHR (0.58) GAALMNAMAPK1L3MBTL1TSHR
SCHEMBL12455605 0.77 TSHR (0.58) GAALMNAMAPK1L3MBTL1TSHR
SCHEMBL12437040 0.76 ALDH1A1 (0.53) GAAMAPTLMNAL3MBTL1TP53
SCHEMBL12437007 0.76 EPHX2 (0.58) TP53TSHRSMN1; SMN2KMT2A

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 5 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

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 GAA 4829/4885MAPT 2535/4885LMNA 1748/4885

“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.