SCHEMBL7094968

SCHEMBL7094968

COc1ccc(C2CCNCC2)cc1OC1CCCC1

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 18/20 0.87
PDE4A P27815 11/20 0.69
PDE4C Q08493 9/20 0.69
PDE4D Q08499 9/20 0.69
CYP3A4 P08684 2/20 0.63
VEGFA P15692 1/20 0.63
ALDH1A1 P00352 1/20 0.63
LMNA P02545 1/20 0.63
CYP1A2 P05177 1/20 0.63
MAPT P10636 1/20 0.63
CYP2C9 P11712 1/20 0.63
ALOX15 P16050 1/20 0.63
CREBBP Q92793 1/20 0.63
KDM4E B2RXH2 1/20 0.63
PDE5A O76074 1/20 0.63
TNF P01375 1/20 0.63
MAPK1 P28482 1/20 0.63
BLM P54132 1/20 0.63
PDE1A P54750 1/20 0.63
PDE1B Q01064 1/20 0.63

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
Hydrochloric Acid SCHEMBL3179865 0.99 PDE4B (0.85) PDE4BPDE4APDE4CPDE4DCYP3A4
SCHEMBL2479640 0.93 PDE4B (1.00) PDE4BPDE4APDE4CPDE4DCYP3A4
SCHEMBL30291084 0.93 PDE4B (1.00) PDE4BPDE4APDE4CPDE4DCYP3A4
SCHEMBL9167416 0.90 PDE4B (0.78) PDE4BPDE4APDE4CPDE4DCYP3A4
SCHEMBL9062953 0.88 PDE4B (0.76) PDE4BPDE4APDE4CPDE4DCYP3A4
SCHEMBL2473309 0.86 PDE4B (0.64) PDE4BPDE4APDE4CPDE4DALDH1A1
Hydrochloric Acid SCHEMBL9014415 0.85 PDE4B (0.62) PDE4BPDE4APDE4CPDE4DALDH1A1
Hydrochloric Acid SCHEMBL9772895 0.85 PDE4B (0.62) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL7438600 0.83 PDE4B (0.69) PDE4BPDE4APDE4CPDE4DCYP3A4
SCHEMBL7408219 0.82 PDE4B (0.80) PDE4BPDE4APDE4CPDE4DCYP3A4

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 10 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
US-6605618-B2 Antidiabetic agents; hypoglycemic agents; anticholesterol agents; side effect reduction WYETH 2003-08-12 US disclosed
US-20030018045-A1 Heterocyclic beta-3 adrenergic receptor agonists WYETH (US) 2003-01-23 US disclosed
US-6451814-B1 SUBSTITUTED 4-((4-AMINO-5-HYDROXYPHENYL)-OXY-)PIPERIDINE ANALOGS; METABOLIC DISORDERS; ANTIDIABETIC AGENTS; ATHERO-SCLEROSIS, GASTROINTESTINAL DISORDERS, GLAUCOMA, NEUROGENETIC INFLAMMATION, OCULAR HYPERTENSION AND FREQUENT URINATION WYETH 2002-09-17 US disclosed
US-20020028832-A1 Heterocyclic beta-3 adrenergic receptor agonists AMERICAN HOME PRODUCTS CORPORATION (US) 2002-03-07 US disclosed
WO-2002006229-A2 HETEROCYCLIC BETA-3 ADRENERGIC RECEPTOR AGONISTS WYETH (US) 2002-01-24 WO disclosed
EP-0696276-A1 N-ACYL SUBSTITUTED PHENYL PIPERIDINES AS BRONCHODILATORS AND ANTI-INFLAMMATORY AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1996-02-14 EP disclosed
US-5459151-A N-acyl substituted phenyl piperidines as bronchodilators and antiinflammatory agents AMERICAN HOME PRODUCTS CORPORATION (US) 1995-10-17 US disclosed
WO-1994025437-A1 N-ACYL SUBSTITUTED PHENYL PIPERIDINES AS BRONCHODILATORS AND ANTI-INFLAMMATORY AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1994-11-10 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 (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-20030018045-A1 Heterocyclic beta-3 adrenergic receptor agonists ADRB2, ADRB1, ADRB3 PDE4B 879/4885PDE4A 872/4885PDE4C 1515/4885
US-20020028832-A1 Heterocyclic beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 PDE4B 992/4885PDE4A 889/4885PDE4C 1481/4885

“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.