SCHEMBL1973323

SCHEMBL1973323

CC1(C)OC(=O)N(CC(=O)O)C1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.53
PRTN3 P24158 3/20 0.53
CTSG P08311 2/20 0.53
KMT2A Q03164 4/20 0.50
LMNA P02545 1/20 0.45
HTT P42858 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ATM Q13315 1/20 0.38
TSHR P16473 2/20 0.36
CA12 O43570 1/20 0.36
CA9 Q16790 1/20 0.36
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 2/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
GRM2 Q14416 1/20 0.33
LPAR1 Q92633 1/20 0.33

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
SCHEMBL12435977 0.85 ELANE (0.49) ELANEPRTN3CTSGKMT2ALMNA
SCHEMBL14009888 0.74 LMNA (0.47) ELANEPRTN3CTSGKMT2ALMNA
SCHEMBL4970309 0.74 ALDH1A1 (0.48) ELANEPRTN3CTSGKMT2AATM
SCHEMBL24220557 0.74 ELANE (0.53) ELANEPRTN3CTSGLMNAALDH1A1
SCHEMBL14009928 0.72 LMNA (0.54) ELANEPRTN3CTSGKMT2ALMNA
SCHEMBL5006337 0.71 ELANE (0.54) ELANEPRTN3CTSGLMNAALDH1A1
SCHEMBL13622590 0.71 ELANE (0.50) ELANEPRTN3CTSGKMT2ALMNA
SCHEMBL4755111 0.71 ELANE (0.50) ELANEPRTN3CTSGLMNAALDH1A1
SCHEMBL23891787 0.69 ELANE (0.49) ELANEPRTN3CTSGLMNAALDH1A1
Hydrochloric Acid SCHEMBL3149437 0.69 LMNA (0.50) ELANEPRTN3CTSGLMNAALDH1A1

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 14 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
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-8470816-B2 Nitrogen-containing heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-06-25 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
US-20090156572-A1 Nitrogen-containing heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-06-18 US disclosed
WO-2008133344-A2 PIPERIDINE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-06 WO disclosed
US-20080275085-A1 Piperidine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-06 US disclosed
US-20070149570-A1 Piperidine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-06-28 US disclosed
EP-1790636-A1 PIPERIDINE DERIVATIVES AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2007-05-30 EP disclosed
US-20060142337-A1 Piperidine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-06-29 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 (5 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-20070149570-A1 Piperidine derivative and use thereof TACR1, OPRL1, TRPV1 ELANE 3046/4885PRTN3 1420/4885CTSG 1601/4885
US-20110178060-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME NTSR2, BDKRB1, AVPR1B ELANE 979/4885PRTN3 813/4885CTSG 2575/4885
US-20080275085-A1 Piperidine derivative and use thereof TACR2, TACR1, PRLHR ELANE 4068/4885PRTN3 1621/4885CTSG 3102/4885
US-20060142337-A1 Piperidine derivative and use thereof AR, AHR, ARNT ELANE 2845/4885PRTN3 1219/4885CTSG 4041/4885
US-20090156572-A1 Nitrogen-containing heterocyclic compound and use thereof NTSR2, NTSR1, HNMT ELANE 1219/4885PRTN3 1371/4885CTSG 2132/4885

“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.