SCHEMBL3931692

SCHEMBL3931692

CN(C)C(=O)C1CCCN1CC=O

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.35
GPBAR1 Q8TDU6 2/20 0.35
KCNH2 Q12809 1/20 0.34
MCHR1 Q99705 1/20 0.34
CASP3 P42574 1/20 0.33
DPP4 P27487 1/20 0.31
PREP P48147 1/20 0.31
FAP Q12884 1/20 0.31
PIK3C3 Q8NEB9 1/20 0.31
GLI1 P08151 1/20 0.31
HTT P42858 1/20 0.31
EGFR P00533 1/20 0.30
REN P00797 1/20 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
SCHEMBL14155721 0.81 BCHE (0.41) BCHEGPBAR1KCNH2MCHR1CASP3
SCHEMBL12521647 0.81 BCHE (0.41) BCHEGPBAR1KCNH2MCHR1CASP3
SCHEMBL24802085 0.79 BCHE (0.37) BCHEGPBAR1KCNH2MCHR1CASP3
SCHEMBL29065238 0.79 CYP1A2 (0.41) REN
SCHEMBL3941139 0.79 CYP1A2 (0.41) REN
SCHEMBL4497811 0.78 BCHE (0.39) BCHEGPBAR1KCNH2MCHR1CASP3
SCHEMBL12847055 0.78 BCHE (0.46) BCHEKCNH2HTT
SCHEMBL5622831 0.78 HTT (0.49) BCHEGPBAR1KCNH2MCHR1CASP3
SCHEMBL5622827 0.78 BCHE (0.39) BCHEGPBAR1KCNH2MCHR1CASP3
SCHEMBL4497813 0.78 HTT (0.49) BCHEGPBAR1KCNH2MCHR1CASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2044083-A1 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. (US) 2009-04-08 EP claimed
US-20080051384-A1 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. 2008-02-28 US claimed
WO-2008008907-A2 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. (US) 2008-01-17 WO claimed
WO-2008008912-A1 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. (US) 2008-01-17 WO claimed
US-20060211698-A1 Bicyclic heteroaryl derivatives for treating viruses GENELABS, INC. 2006-09-21 US claimed
EP-2049536-A2 POLYCYCLIC VIRAL INHIBITORS GENELABS TECHNOLOGIES, INC. (US) 2009-04-22 EP disclosed
EP-2044083-A1 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. (US) 2009-04-08 EP disclosed
US-20080051384-A1 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. 2008-02-28 US disclosed
US-20080045498-A1 POLYCYCLIC VIRAL INHIBITORS GENELABS TECHNOLOGIES, INC. 2008-02-21 US disclosed
WO-2008011521-A2 POLYCYCLIC VIRAL INHIBITORS GENELABS TECHNOLOGIES, INC. (US) 2008-01-24 WO disclosed
WO-2008008907-A2 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. (US) 2008-01-17 WO disclosed
WO-2008008912-A1 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. (US) 2008-01-17 WO disclosed
US-20060211698-A1 Bicyclic heteroaryl derivatives for treating viruses GENELABS, INC. 2006-09-21 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 (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-20080045498-A1 POLYCYCLIC VIRAL INHIBITORS EIF2AK2, ZC3HAV1, MAVS BCHE 4026/4885GPBAR1 2673/4885KCNH2 2609/4885
US-20060211698-A1 Bicyclic heteroaryl derivatives for treating viruses HAVCR2, ZC3HAV1, SARS1 BCHE 1315/4885GPBAR1 979/4885KCNH2 3202/4885
US-20080051384-A1 ANTIVIRAL AGENTS EIF2AK2, MAVS, ZC3HAV1 BCHE 2257/4885GPBAR1 3267/4885KCNH2 2647/4885

“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.