SCHEMBL16828811

SCHEMBL16828811

CC(C)(C)OC(=O)N1CCC(Oc2ccc(Br)cc2C(N)=O)CC1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 5/20 0.52
PDE4D Q08499 3/20 0.52
PDE4A P27815 2/20 0.52
PDE4C Q08493 2/20 0.52
GPR119 Q8TDV5 8/20 0.51
KDM1A O60341 1/20 0.48
CHEK2 O96017 1/20 0.46
TOP2A P11388 1/20 0.46
PARP1 P09874 1/20 0.43

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
SCHEMBL5864903 0.88 PDE4B (0.54) PDE4BPDE4DPDE4APDE4CGPR119
SCHEMBL3281524 0.87 PDE4B (0.52) PDE4BPDE4DPDE4APDE4CGPR119
SCHEMBL12801190 0.86 PDE4B (0.53) PDE4BPDE4DPDE4APDE4CGPR119
SCHEMBL2277132 0.86 PDE4B (0.64) PDE4BPDE4DPDE4APDE4CGPR119
SCHEMBL31583988 0.86 PDE4B (0.64) PDE4BPDE4DPDE4APDE4CGPR119
SCHEMBL13718678 0.84 GPR119 (0.66) PDE4BPDE4DPDE4APDE4CGPR119
SCHEMBL18318290 0.84 PDE4B (0.53) PDE4BPDE4DPDE4APDE4CGPR119
SCHEMBL3156793 0.83 PDE4B (0.51) PDE4BPDE4DPDE4APDE4CGPR119
SCHEMBL19468677 0.83 KCNH2 (0.45) PDE4BGPR119PARP1
SCHEMBL16853782 0.83 KCNH2 (0.45) PDE4BGPR119PARP1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170305857-A1 N-ACYLPIPERIDINE ETHER TROPOMYOSIN-RELATED KINASE INHIBITORS PFIZER LIMITED (UK) 2017-10-26 US disclosed
US-20170305857-A1 N-ACYLPIPERIDINE ETHER TROPOMYOSIN-RELATED KINASE INHIBITORS PFIZER LIMITED (UK) 2017-10-26 US disclosed
US-20170305857-A1 N-ACYLPIPERIDINE ETHER TROPOMYOSIN-RELATED KINASE INHIBITORS PFIZER LIMITED (UK) 2017-10-26 US disclosed
EP-3083602-A1 N-ACYLPIPERIDINE ETHER TROPOMYOSIN-RELATED KINASE INHIBITORS Pfizer Limited (GB) 2016-10-26 EP disclosed
WO-2015092610-A1 N-ACYLPIPERIDINE ETHER TROPOMYOSIN-RELATED KINASE INHIBITORS PFIZER LIMITED (GB) 2015-06-25 WO disclosed
WO-2015092610-A1 N-ACYLPIPERIDINE ETHER TROPOMYOSIN-RELATED KINASE INHIBITORS PFIZER LIMITED (GB) 2015-06-25 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 (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-20170305857-A1 N-ACYLPIPERIDINE ETHER TROPOMYOSIN-RELATED KINASE INHIBITORS TNNI3, MUSK, MYLK2 PDE4B 1607/4885PDE4D 1411/4885PDE4A 1312/4885

“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.