SCHEMBL3940873

SCHEMBL3940873

[CH2]C(=O)N1CCC(N(CC)CC)CC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 1/20 0.43
CBX7 O95931 2/20 0.42
CDYL2 Q8N8U2 2/20 0.42
CDYL Q9Y232 2/20 0.42
CDY1; CDY1B Q9Y6F8 1/20 0.39
L3MBTL3 Q96JM7 1/20 0.36
KMT2A Q03164 2/20 0.34
TRPV4 Q9HBA0 1/20 0.34
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
POLR1A O95602 1/20 0.33
GAA P10253 1/20 0.33
HTR1A P08908 1/20 0.32
NPC1 O15118 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MEN1 O00255 1/20 0.32

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
SCHEMBL3939589 0.89 KMT2A (0.40) ACKR3CBX7CDYL2CDYLCDY1; CDY1B
SCHEMBL19009679 0.82 ALDH1A1 (0.44) ACKR3CBX7CDYL2CDYLCDY1; CDY1B
SCHEMBL7970805 0.81 ACKR3 (0.43) ACKR3CBX7CDYL2CDYLCDY1; CDY1B
SCHEMBL19000005 0.78 ACKR3 (0.41) ACKR3CBX7CDYL2CDYLCDY1; CDY1B
SCHEMBL19652207 0.78 ACKR3 (0.41) ACKR3CBX7CDYL2CDYLCDY1; CDY1B
SCHEMBL26343464 0.78 ACKR3 (0.53) ACKR3CBX7CDYL2CDYLCDY1; CDY1B
SCHEMBL425964 0.78 L3MBTL3 (0.56) CDYLCDY1; CDY1BL3MBTL3KMT2AMAPT
SCHEMBL27788065 0.77 MCHR1 (0.42) ACKR3CBX7CDYL2CDYLKMT2A
SCHEMBL3399163 0.76 KMT2A (0.41) ACKR3CBX7CDYL2CDYLCDY1; CDY1B
SCHEMBL3507064 0.76 KMT2A (0.41) ACKR3CBX7CDYL2CDYLCDY1; CDY1B

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 19 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-2008008912-A1 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. (US) 2008-01-17 WO claimed
WO-2008008907-A2 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. (US) 2008-01-17 WO claimed
EP-1844042-A1 INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS GENELABS TECHNOLOGIES, INC. (US) 2007-10-17 EP claimed
US-20060211698-A1 Bicyclic heteroaryl derivatives for treating viruses GENELABS, INC. 2006-09-21 US claimed
WO-2006076529-A1 INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS GENELABS TECHNOLOGIES, INC. (US) 2006-07-20 WO 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-2008008912-A1 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. (US) 2008-01-17 WO disclosed
WO-2008008907-A2 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. (US) 2008-01-17 WO disclosed
EP-1844042-A1 INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS GENELABS TECHNOLOGIES, INC. (US) 2007-10-17 EP disclosed
US-20060211698-A1 Bicyclic heteroaryl derivatives for treating viruses GENELABS, INC. 2006-09-21 US disclosed
WO-2006076529-A1 INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS GENELABS TECHNOLOGIES, INC. (US) 2006-07-20 WO disclosed
EP-0863897-A1 5-PHENYL-3-(PIPERIDIN-4-YL)-1,3,4-OXADIAZOL-2(3H)-ONE DERIVATIVES FOR USE AS 5-HT 4? OR H 3? RECEPTOR LIGANDS SYNTHELABO (FR) 1998-09-16 EP disclosed
WO-1997017345-A1 5-PHENYL-3-(PIPERIDIN-4-YL)-1,3,4-OXADIAZOL-2(3H)-ONE DERIVATIVES FOR USE AS 5-HT4 OR H3 RECEPTOR LIGANDS SYNTHELABO (FR) 1997-05-15 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-20080045498-A1 POLYCYCLIC VIRAL INHIBITORS EIF2AK2, ZC3HAV1, MAVS ACKR3 3347/4885CBX7 555/4885CDYL2 3419/4885
US-20060211698-A1 Bicyclic heteroaryl derivatives for treating viruses HAVCR2, ZC3HAV1, SARS1 ACKR3 2133/4885CBX7 400/4885CDYL2 2810/4885
US-20080051384-A1 ANTIVIRAL AGENTS EIF2AK2, MAVS, ZC3HAV1 ACKR3 2983/4885CBX7 2500/4885CDYL2 4283/4885

“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.