SCHEMBL12436922

SCHEMBL12436922

CC(=O)C1CCN(C(=O)C2CC2)CC1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.58
CHRNB2 P17787 3/20 0.54
CHRNA3 P32297 3/20 0.54
CHRNA4 P43681 3/20 0.54
CHRNB3 Q05901 3/20 0.54
CHRNA6 Q15825 3/20 0.54
ALDH1A1 P00352 5/20 0.52
TSHR P16473 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
HTT P42858 1/20 0.50
RECQL P46063 1/20 0.45
LMNA P02545 2/20 0.44
HSD11B1 P28845 2/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL25499128 0.92 HPGD (0.50) HPGDCHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL25512221 0.92 HPGD (0.50) HPGDCHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL13629811 0.91 SMN1; SMN2 (0.49) HPGDCHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL22549555 0.91 ALDH1A1 (0.65) HPGDCHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL14159244 0.90 HPGD (0.48) HPGDCHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL25499141 0.90 HTT (0.55) HPGDCHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL24003647 0.88 SMN1; SMN2 (0.46) HPGDCHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL24003426 0.87 HPGD (0.46) HPGDCHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL25498586 0.87 HPGD (0.48) HPGDCHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL25498584 0.87 SMN1; SMN2 (0.50) HPGDCHRNB2CHRNA3CHRNA4CHRNB3

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 12 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-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
US-20090156572-A1 Nitrogen-containing heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-06-18 US disclosed
US-20090156572-A1 Nitrogen-containing heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-06-18 US disclosed
WO-2009072643-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-11 WO 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 HPGD 830/4885CHRNB2 164/4885CHRNA3 310/4885
US-20090156572-A1 Nitrogen-containing heterocyclic compound and use thereof NTSR2, NTSR1, HNMT HPGD 410/4885CHRNB2 517/4885CHRNA3 550/4885

“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.