SCHEMBL3060805

SCHEMBL3060805

CCCC1CCCC(=O)NC1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 4/20 0.37
NOS1 P29475 4/20 0.37
NOS2 P35228 4/20 0.37
OR51E2 Q9H255 1/20 0.35
CRBN Q96SW2 2/20 0.34
FKBP5 Q13451 1/20 0.34
CHRNA7 P36544 1/20 0.33
CYP1A2 P05177 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRL1 P41146 1/20 0.32
ALOX5 P09917 2/20 0.30
SIRT2 Q8IXJ6 1/20 0.30
SIRT1 Q96EB6 1/20 0.30
SIRT3 Q9NTG7 1/20 0.30
TLR4 O00206 2/20 0.30

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
SCHEMBL20360771 0.86 CYP1A2 (0.41) CYP1A2ALOX5SIRT2SIRT1SIRT3
SCHEMBL4414563 0.85 OR51E2 (0.38) OR51E2CRBNFKBP5
SCHEMBL22468189 0.80 CYP1A2 (0.46) CYP1A2ALOX5SIRT2SIRT1SIRT3
SCHEMBL22468175 0.80 CYP1A2 (0.46) CYP1A2ALOX5SIRT2SIRT1SIRT3
SCHEMBL10947989 0.79 CRBN (0.40) NOS3NOS1NOS2OR51E2CRBN
SCHEMBL26644803 0.78 TLR4 (0.41) NOS1NOS2CRBNCYP1A2TLR4
SCHEMBL25861884 0.76 MMP1 (0.34) OR51E2CRBNFKBP5
SCHEMBL27374922 0.76 OR51E2 (0.34) NOS3NOS1NOS2OR51E2CRBN
SCHEMBL1202062 0.76
SCHEMBL1777044 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100222326-A1 New Heterocyclic Derivatives Useful For The Treatment of CNS Disorders UCB PHARMA, S.A. (BE) 2010-09-02 US claimed
EP-2152262-A2 NEW HETEROCYCLIC DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS UCB Pharma, S.A. (BE) 2010-02-17 EP claimed
WO-2008132142-A2 NEW HETEROCYCLIC DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS UCB PHARMA S.A. (BE) 2008-11-06 WO claimed
WO-2008132139-A2 NEW HETEROCYCLIC DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS UCB PHARMA S.A. (BE) 2008-11-06 WO claimed
EP-2672822-A1 METHODS AND COMPOSITIONS FOR IMPROVING COGNITIVE FUNCTION The Johns Hopkins University (US) 2013-12-18 EP disclosed
WO-2012109491-A1 METHODS AND COMPOSITIONS FOR IMPROVING COGNITIVE FUNCTION THE JOHNS HOPKINS UNIVERSITY (US) 2012-08-16 WO disclosed
US-20100222326-A1 New Heterocyclic Derivatives Useful For The Treatment of CNS Disorders UCB PHARMA, S.A. (BE) 2010-09-02 US disclosed
US-20100222326-A1 New Heterocyclic Derivatives Useful For The Treatment of CNS Disorders UCB PHARMA, S.A. (BE) 2010-09-02 US disclosed
EP-2152262-A2 NEW HETEROCYCLIC DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS UCB Pharma, S.A. (BE) 2010-02-17 EP disclosed
WO-2008132142-A2 NEW HETEROCYCLIC DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS UCB PHARMA S.A. (BE) 2008-11-06 WO disclosed
WO-2008132139-A2 NEW HETEROCYCLIC DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS UCB PHARMA S.A. (BE) 2008-11-06 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 (1 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-20100222326-A1 New Heterocyclic Derivatives Useful For The Treatment of CNS Disorders CNR2, CNR1, SLC18A2 NOS3 3559/4885NOS1 4164/4885NOS2 3743/4885

“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.