SCHEMBL12436977

SCHEMBL12436977

CC(=O)NCC(=O)N1CCC(C(C)=O)CC1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FAP Q12884 2/20 0.46
DPP4 P27487 1/20 0.46
PREP P48147 1/20 0.46
ALDH1A1 P00352 8/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 2/20 0.37
TGM2 P21980 1/20 0.37
MAPT P10636 1/20 0.36

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
SCHEMBL24272052 0.88 L3MBTL1 (0.47) FAPDPP4PREPALDH1A1KMT2A
SCHEMBL26750045 0.83 PREP (0.49) FAPPREPALDH1A1KMT2AMEN1
SCHEMBL14115757 0.82 GNAI3 (0.49) FAPDPP4PREPALDH1A1KMT2A
SCHEMBL8268579 0.81 ALDH1A1 (0.49) FAPDPP4PREPALDH1A1KMT2A
SCHEMBL24272053 0.81 ALDH1A1 (0.49) FAPDPP4PREPALDH1A1KMT2A
SCHEMBL8342117 0.81 FAP (0.45) FAPDPP4PREPALDH1A1KMT2A
SCHEMBL14902198 0.79 ALDH1A1 (0.41) ALDH1A1KMT2AMEN1TSHRSMN1; SMN2
SCHEMBL4757597 0.79 FAP (0.44) FAPDPP4PREPALDH1A1KMT2A
SCHEMBL4757596 0.79 FAP (0.44) FAPDPP4PREPALDH1A1KMT2A
SCHEMBL10274507 0.79 L3MBTL3 (0.46) FAPDPP4PREPALDH1A1KMT2A

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 11 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
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
US-20070149570-A1 Piperidine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-06-28 US disclosed
US-20070149570-A1 Piperidine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-06-28 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 (3 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 FAP 953/4885DPP4 2150/4885PREP 191/4885
US-20110178060-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME NTSR2, BDKRB1, AVPR1B FAP 2637/4885DPP4 3617/4885PREP 744/4885
US-20080275085-A1 Piperidine derivative and use thereof TACR2, TACR1, PRLHR FAP 3998/4885DPP4 1785/4885PREP 909/4885

“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.