SCHEMBL3170776

SCHEMBL3170776

COc1ccc(CC#N)cc1OC1CCCC1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 14/20 0.53
PDE4A P27815 15/20 0.52
PDE4C Q08493 10/20 0.52
PDE4D Q08499 10/20 0.52
RECQL P46063 1/20 0.50

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
SCHEMBL7323520 0.86 PDE4B (0.54) PDE4BPDE4APDE4CPDE4DRECQL
SCHEMBL8067615 0.86 PDE4B (0.56) PDE4BPDE4APDE4CPDE4DRECQL
SCHEMBL1028306 0.83 PDE4D (0.50) PDE4BPDE4APDE4CPDE4DRECQL
SCHEMBL7149759 0.83 PDE4D (0.54) PDE4BPDE4APDE4CPDE4D
SCHEMBL7147675 0.82 PDE4B (0.50) PDE4BPDE4APDE4CPDE4D
SCHEMBL3976102 0.82 PDE4B (0.57) PDE4BPDE4APDE4CPDE4DRECQL
SCHEMBL7355462 0.81 PDE4A (0.52) PDE4BPDE4APDE4CPDE4DRECQL
SCHEMBL13317191 0.81 RECQL (0.61) PDE4BPDE4APDE4CPDE4DRECQL
SCHEMBL77974 0.81 CA2 (0.61)
SCHEMBL2958828 0.81 RECQL (0.60) PDE4BPDE4APDE4CPDE4DRECQL

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 110 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1238967-B1 A process for the preparation of 1-(cyano(aryl)methyl) cyclohexanol COUNCIL SCIENT IND RES (IN) 2005-04-27 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
EP-1308440-B1 PIPERIDINE DERIVATIVES AND DRUGS CONTAINING THESE DERIVATIVES AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO (JP) 2009-05-06 EP disclosed
US-20080287522-A1 reduced or no emetogenic effects ; benzylated phosphodiesterase 4 inhibitors; e.g. Rolipram, Ariflo, Arofylline; preparation by benzylation using benzyl bromide or a derivative; antiinflammatory agents; to treat autoimmune diseases; cystic fibrosis BIOLIPOX AB (SE) 2008-11-20 US disclosed
EP-1524268-B1 Compounds and method for preparing sustituted 4-phenyl-4-cyanocyclohexanoic acids SMITHKLINE BEECHAM CORP (US) 2007-01-17 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
EP-1279662-B1 Process for preparing phenylcyclohexan-1-ylcarboxylic acids SMITHKLINE BEECHAM CORP (US) 2006-08-16 EP disclosed
EP-1295869-B1 Compounds and method for preparing substituted 4-phenyl-4-cyanocyclohexanoic acids SMITHKLINE BEECHAM CORP (US) 2005-07-27 EP disclosed
EP-1524268-A1 Compounds and method for preparing sustituted 4-phenyl-4-cyanocyclohexanoic acids SmithKline Beecham Corporation (US) 2005-04-20 EP disclosed
CN-1094710-A New cyclohexane derivant SMITHKLINE BEECHAM CORP (US) 1994-11-09 CN disclosed
CN-1094711-A New hexanaphthene ylidene derivatives SMITHKLINE BEECHAM CORP (US) 1994-11-09 CN disclosed
CN-1094031-A New hexanaphthene ylidene derivatives SMITHKLINE BEECHAM CORP (US) 1994-10-26 CN disclosed
CN-1092407-A New cyclohexane ylidene derivatives SMITHKLINE BEECHAM CORP (US) 1994-09-21 CN disclosed
WO-1993019750-A1 COMPOUNDS USEFUL FOR TREATING ALLERGIC OR INFLAMMATORY DISEASES SMITHKLINE BEECHAM CORPORATION (US) 1993-10-14 WO disclosed
WO-1993019751-A1 COMPOUNDS USEFUL FOR TREATING INFLAMMATORY DISEASES AND INHIBITING PRODUCTION OF TUMOR NECROSIS FACTOR SMITHKLINE BEECHAM CORPORATION (US) 1993-10-14 WO disclosed
WO-1993019747-A1 COMPOUNDS USEFUL FOR TREATING ALLERGIC AND INFLAMMATORY DISEASES SMITHKLINE BEECHAM CORPORATION (US) 1993-10-14 WO disclosed
WO-1993019748-A1 COMPOUNDS USEFUL FOR TREATING INFLAMMATORY DISEASES AND FOR INHIBITING PRODUCTION OF TUMOR NECROSIS FACTOR SMITHKLINE BEECHAM CORPORATION (US) 1993-10-14 WO disclosed
EP-0538384-A1 OXAMIDES SMITHKLINE BEECHAM CORPORATION (US) 1993-04-28 EP disclosed
WO-1992000968-A1 OXAMIDES SMITHKLINE BEECHAM CORPORATION (US) 1992-01-23 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-20080287522-A1 reduced or no emetogenic effects ; benzylated phosphodiesterase 4 inhibitors; e.g. Rolipram, Ariflo, Arofylline; preparation by benzylation using benzyl bromide or a derivative; antiinflammatory agents; to treat autoimmune diseases; cystic fibrosis PDE4B, PDE4A, PDE7A PDE4B 1/4885PDE4A 2/4885PDE4C 4/4885
US-20060189656-A1 Piperidine derivatives and agent comprising the derivative as active ingredient PDE4A, PDE4B, PDE4D PDE4B 2/4885PDE4A 1/4885PDE4C 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.