SCHEMBL12436637

SCHEMBL12436637

CC(=O)[C@H]1CC[C@H](N2CCCC2=O)CC1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 4/20 0.45
MMP13 P45452 1/20 0.38
KDM5A P29375 1/20 0.38
KMT2A Q03164 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
VNN1 O95497 2/20 0.36
BTK Q06187 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
BRD4 O60885 1/20 0.35
BRD2 P25440 1/20 0.35

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
SCHEMBL12513671 1.00 NPY5R (0.45) NPY5RMMP13KDM5AKMT2ANPC1
SCHEMBL2136719 0.84 POLB (0.47) NPY5RMMP13KDM5AKMT2ANPC1
SCHEMBL2943960 0.84 POLB (0.47) NPY5RMMP13KDM5AKMT2ANPC1
SCHEMBL379809 0.84 POLB (0.47) NPY5RMMP13KDM5AKMT2ANPC1
SCHEMBL17185334 0.83
SCHEMBL380060 0.83 NPY5R (0.45) NPY5RMMP13KDM5AKMT2ANPC1
SCHEMBL2943702 0.82 NPY5R (0.46) NPY5RMMP13KMT2ANPC1RAB9A
SCHEMBL2599858 0.82 NPY5R (0.46) NPY5RMMP13KMT2ANPC1RAB9A
SCHEMBL2135235 0.79 POLB (0.46) NPY5RMMP13KMT2ANPC1RAB9A
SCHEMBL379600 0.79 POLB (0.46) NPY5RMMP13KMT2ANPC1RAB9A

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-20090005355-A1 Piperidine Compound and Process for Preparing the Same TANABE SEIYAKU CO., LTD. (JP) 2009-01-01 US disclosed
US-20090005355-A1 Piperidine Compound and Process for Preparing the Same TANABE SEIYAKU CO., LTD. (JP) 2009-01-01 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 NPY5R 71/4885MMP13 4160/4885KDM5A 3794/4885
US-20090005355-A1 Piperidine Compound and Process for Preparing the Same AVPR1B, HRH4, PRLHR NPY5R 48/4885MMP13 3895/4885KDM5A 1072/4885

“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.