SCHEMBL12436726

SCHEMBL12436726

CC(=O)C1CCC(NC(=O)c2ncccc2F)CC1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.49
KDM5A P29375 1/20 0.47
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
HCRTR1 O43613 1/20 0.43
PDE4B Q07343 8/20 0.43
PDE4D Q08499 6/20 0.43
PDE4A P27815 1/20 0.42
PDE4C Q08493 1/20 0.42
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
SMYD3 Q9H7B4 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL22722011 1.00 ELANE (0.49) ELANEKDM5AKDM4EALDH1A1GAA
SCHEMBL28488542 0.85 ALDH1A1 (0.58) KDM5AKDM4EALDH1A1GAAHCRTR1
SCHEMBL19215315 0.83 ALDH1A1 (0.64) KDM5AKDM4EALDH1A1GAAHCRTR1
SCHEMBL20068957 0.77 KDM5A (0.57) KDM5AALDH1A1
SCHEMBL22722015 0.77 SMYD3 (0.64) KDM4EALDH1A1GAASMYD3RAB9A
SCHEMBL12436733 0.77 SMYD3 (0.64) KDM4EALDH1A1GAASMYD3RAB9A
SCHEMBL20147609 0.75 KDM5A (0.56) KDM5AKDM4EALDH1A1GAAHCRTR1
SCHEMBL21652053 0.74 KDM5A (0.55) KDM5A
SCHEMBL24291941 0.74 RIPK1 (0.45) ELANEKDM4EALDH1A1HCRTR1
SCHEMBL19190403 0.73 RIPK1 (0.44) PDE4BPDE4DPDE4APDE4C

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-RE49686-E1 Nitrogen-containing heterocyclic compound and use of same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-10-10 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 ELANE 979/4885KDM5A 3794/4885KDM4E 4083/4885

“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.