SCHEMBL3170677

SCHEMBL3170677

COc1ccc(C2(C#N)CCN([C@H](C)C(=O)NO)CC2)cc1OC1CCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 20/20 1.00
PDE4B Q07343 20/20 1.00
PDE4C Q08493 20/20 1.00
PDE4D Q08499 20/20 1.00

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
SCHEMBL3173428 1.00 PDE4A (1.00) PDE4APDE4BPDE4CPDE4D
SCHEMBL3174901 1.00 PDE4A (1.00) PDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL3170706 0.99 PDE4A (0.98) PDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL3176215 0.99 PDE4A (0.98) PDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL3160277 0.99 PDE4A (0.98) PDE4APDE4BPDE4CPDE4D
SCHEMBL3166727 0.91 PDE4A (0.83) PDE4APDE4BPDE4CPDE4D
SCHEMBL3176202 0.91 PDE4A (0.83) PDE4APDE4BPDE4CPDE4D
SCHEMBL3160716 0.90 PDE4A (0.82) PDE4APDE4BPDE4CPDE4D
SCHEMBL3175763 0.90 PDE4A (0.81) PDE4APDE4BPDE4CPDE4D
SCHEMBL3180118 0.90 PDE4A (0.81) PDE4APDE4BPDE4CPDE4D

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 7 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 claimed
EP-1308440-B1 PIPERIDINE DERIVATIVES AND DRUGS CONTAINING THESE DERIVATIVES AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO (JP) 2009-05-06 EP claimed
US-7109342-B2 Piperidine derivatives and agent comprising the derivative as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2006-09-19 US claimed
US-20060189656-A1 Piperidine derivatives and agent comprising the derivative as active ingredient ONO PHARMACEUTICAL CO., LTD. 2006-08-24 US claimed
US-20040044036-A1 Piperidine derivatives and drugs containing these derivatives as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2004-03-04 US claimed
EP-1308440-A1 PIPERIDINE DERIVATIVES AND DRUGS CONTAINING THESE DERIVATIVES AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2003-05-07 EP claimed
US-7649095-B2 Piperidine derivatives and agent comprising the derivative as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2010-01-19 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-20040044036-A1 Piperidine derivatives and drugs containing these derivatives as active ingredient PDE4A, PDE4B, PDE4D PDE4A 1/4885PDE4B 2/4885PDE4C 4/4885
US-20060189656-A1 Piperidine derivatives and agent comprising the derivative as active ingredient PDE4A, PDE4B, PDE4D PDE4A 1/4885PDE4B 2/4885PDE4C 4/4885

“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.