SCHEMBL12436713

SCHEMBL12436713

COCC(=O)N[C@H]1CC[C@H](C(C)=O)CC1

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.66
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
PKM P14618 1/20 0.41
LMNA P02545 1/20 0.41
ATF4 P18848 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
HPGD P15428 2/20 0.39
EPHX2 P34913 1/20 0.39
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL12513672 1.00 NPSR1 (0.66) NPSR1ALDH1A1MEN1KMT2APKM
SCHEMBL2090052 0.89
SCHEMBL3401676 0.84 NPSR1 (0.64) NPSR1ALDH1A1MEN1KMT2APKM
SCHEMBL14492244 0.81 NPSR1 (0.70) NPSR1ALDH1A1MEN1KMT2ALMNA
SCHEMBL22651967 0.81 NPSR1 (0.70) NPSR1ALDH1A1MEN1KMT2APKM
SCHEMBL13130101 0.81 NPSR1 (0.70) NPSR1ALDH1A1MEN1KMT2APKM
Carbamic Acid SCHEMBL11200157 0.81 NPSR1 (0.70) NPSR1ALDH1A1MEN1KMT2APKM
SCHEMBL12425654 0.81 NPSR1 (0.70) NPSR1ALDH1A1MEN1KMT2ALMNA
SCHEMBL22721998 0.81 MTNR1A (0.44) NPSR1ALDH1A1MEN1KMT2ALMNA
SCHEMBL12436723 0.81 MTNR1A (0.44) NPSR1ALDH1A1MEN1KMT2ALMNA

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-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-20080275085-A1 Piperidine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-06 US disclosed
US-20080275085-A1 Piperidine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-06 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 (2 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 NPSR1 20/4885ALDH1A1 3648/4885MEN1 209/4885
US-20080275085-A1 Piperidine derivative and use thereof TACR2, TACR1, PRLHR NPSR1 17/4885ALDH1A1 3412/4885MEN1 1884/4885

“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.