SCHEMBL3167378

SCHEMBL3167378

COc1ccc(C(C#N)(CC=O)CC=O)cc1OC1CCCC1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.47
HSD17B10 Q99714 1/20 0.47
PDE4B Q07343 14/20 0.47
PDE4A P27815 12/20 0.46
PDE4C Q08493 11/20 0.46
PDE4D Q08499 11/20 0.46
PDE5A O76074 1/20 0.42
PDE1A P54750 1/20 0.42
PDE1B Q01064 1/20 0.42
PDE1C Q14123 1/20 0.42
POLB P06746 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
SCHEMBL14027109 0.85 CASP1 (0.47) CASP1HSD17B10PDE4BPDE4APDE4C
SCHEMBL6231255 0.83 CASP1 (0.55) CASP1HSD17B10PDE4BPDE4APDE4C
SCHEMBL6826307 0.82 CASP1 (0.54) CASP1HSD17B10PDE4BPDE4APDE4C
SCHEMBL6815488 0.82 CASP1 (0.54) CASP1HSD17B10PDE4BPDE4APDE4C
SCHEMBL6826506 0.81 CASP1 (0.50) CASP1HSD17B10PDE4BPDE4APDE4C
SCHEMBL5703639 0.81 PDE4B (0.50) CASP1HSD17B10PDE4BPDE4APDE4C
SCHEMBL5498111 0.80 CASP1 (0.49) CASP1HSD17B10PDE4BPDE4APDE4C
SCHEMBL7355456 0.80 PDE4A (0.51) PDE4BPDE4APDE4CPDE4DPDE5A
SCHEMBL8357874 0.79 PDE4B (0.49) PDE4BPDE4APDE4CPDE4DPOLB
SCHEMBL9269715 0.78 PDE4B (0.49) PDE4BPDE4APDE4CPDE4DPDE5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7649095-B2 Piperidine derivatives and agent comprising the derivative as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2010-01-19 US disclosed
US-7649095-B2 Piperidine derivatives and agent comprising the derivative as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2010-01-19 US disclosed
EP-1308440-B1 PIPERIDINE DERIVATIVES AND DRUGS CONTAINING THESE DERIVATIVES AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO (JP) 2009-05-06 EP disclosed
EP-1308440-B1 PIPERIDINE DERIVATIVES AND DRUGS CONTAINING THESE DERIVATIVES AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO (JP) 2009-05-06 EP disclosed
US-7109342-B2 Piperidine derivatives and agent comprising the derivative as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2006-09-19 US disclosed
US-20060189656-A1 Piperidine derivatives and agent comprising the derivative as active ingredient ONO PHARMACEUTICAL CO., LTD. 2006-08-24 US disclosed
US-20040044036-A1 Piperidine derivatives and drugs containing these derivatives as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2004-03-04 US disclosed
EP-1308440-A1 PIPERIDINE DERIVATIVES AND DRUGS CONTAINING THESE DERIVATIVES AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2003-05-07 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 (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-20040044036-A1 Piperidine derivatives and drugs containing these derivatives as active ingredient PDE4A, PDE4B, PDE4D CASP1 220/4885HSD17B10 3690/4885PDE4B 2/4885
US-20060189656-A1 Piperidine derivatives and agent comprising the derivative as active ingredient PDE4A, PDE4B, PDE4D CASP1 272/4885HSD17B10 3959/4885PDE4B 2/4885

“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.