SCHEMBL5268640

SCHEMBL5268640

CCCCOC1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 3/20 0.49
PDE4A P27815 2/20 0.49
PDE4B Q07343 2/20 0.49
PDE4C Q08493 2/20 0.49
HPGD P15428 1/20 0.48
GPR119 Q8TDV5 7/20 0.46
RECQL P46063 1/20 0.46
EPHX1 P07099 1/20 0.46
PRMT5 O14744 1/20 0.44
WDR77 Q9BQA1 1/20 0.44
USP2 O75604 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL13107229 0.96 PDE4D (0.47) PDE4DPDE4APDE4BPDE4CHPGD
SCHEMBL20129276 0.93 PDE4D (0.47) PDE4DPDE4APDE4BPDE4CHPGD
SCHEMBL13107602 0.92 PRMT5 (0.46) PDE4DPDE4APDE4BPDE4CHPGD
SCHEMBL2149148 0.91 HPGD (0.50) PDE4DPDE4APDE4BPDE4CHPGD
SCHEMBL25960265 0.88 HPGD (0.48) HPGDGPR119RECQLEPHX1PRMT5
SCHEMBL4219721 0.88 HPGD (0.48) HPGDGPR119RECQLEPHX1PRMT5
SCHEMBL13096783 0.87 HPGD (0.47) HPGDGPR119RECQLEPHX1PRMT5
SCHEMBL28683446 0.87 HPGD (0.47) HPGDGPR119RECQLEPHX1PRMT5
SCHEMBL21997478 0.87 HPGD (0.47) HPGDGPR119RECQLEPHX1PRMT5
SCHEMBL3701563 0.87 HPGD (0.47) HPGDGPR119RECQLEPHX1PRMT5

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-7645754-B2 Pyrrolopyrimidine A2B selective antagonist compounds, their synthesis and use OSI PHARMACEUTICALS, INC. (US) 2010-01-12 US disclosed
US-20080261943-A1 PYRROLOPYRIMIDINE A2B SELECTIVE ANTAGONIST COMPOUNDS, THEIR SYNTHESIS AND USE OSI PHARMACEUTICALS, INC. (US) 2008-10-23 US disclosed
EP-1347990-B1 Peptides having inhibiting activity to nitric oxyde production ASTELLAS PHARMA INC (JP) 2007-10-10 EP disclosed
US-7129243-B2 Peptide compounds ASTELLAS PHARMA INC. (JP) 2006-10-31 US disclosed
US-20040097425-A1 Peptide compounds ASTELLAS PHARMA INC. (JP) 2004-05-20 US disclosed
EP-1347990-A2 PEPTIDE MIT INHIBIERENDER AKTIVITÄT ZUR PRODUKTION VON STICKSTOFFMONOXID FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-10-01 EP disclosed
US-6455548-B2 FOR PROPHYLAXIS AND THERAPY OF ASTHMA, ALLERGIC RHINITIS, DERMATITIS, CONJUNCTIVITIS, ATHEROSCLEROSIS OR RHEUMATOID ARTHRITIS, INFECTION BY HIV, DELAYING OF THE ONSET OF AIDS MERCK & CO., INC. 2002-09-24 US disclosed
WO-2002055541-A2 PEPTIDES HAVING INHIBITING ACTIVITY ON THE PRODUCTION OF NITRIC OXIDE FUJISAWA PHARMACEUTICAL CO (JP) 2002-07-18 WO disclosed
US-20020013348-A1 4-alkyl piperidinyl pyrrolidine modulators of chemokine receptor activity MERCK SHARP & DOHME CORP. 2002-01-31 US disclosed
WO-2001064216-A1 4-ALKYL PIPERIDINYL PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO., INC. (US) 2001-09-07 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 (3 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-20080261943-A1 PYRROLOPYRIMIDINE A2B SELECTIVE ANTAGONIST COMPOUNDS, THEIR SYNTHESIS AND USE NR0B2, NR0B1, ADORA2B PDE4D 3917/4885PDE4A 3875/4885PDE4B 3336/4885
US-20020013348-A1 4-alkyl piperidinyl pyrrolidine modulators of chemokine receptor activity CCR1, CCR4, CCR3 PDE4D 111/4885PDE4A 171/4885PDE4B 192/4885
US-20040097425-A1 Peptide compounds VIP, NOS1, NOS3 PDE4D 1981/4885PDE4A 1149/4885PDE4B 1333/4885

“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.