SCHEMBL3928801

SCHEMBL3928801

[CH2]C(=O)N1CCC(c2cccnc2)C1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.60
SPR P35270 1/20 0.58
NAMPT P43490 1/20 0.52
CYP11B2 P19099 1/20 0.51
SCD O00767 1/20 0.47
SCD5 Q86SK9 1/20 0.47
ALDH1A1 P00352 4/20 0.46
NPC1 O15118 1/20 0.45
TP53 P04637 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
POLB P06746 1/20 0.45
CHRNA7 P36544 2/20 0.44
CHRNB2 P17787 2/20 0.44
CHRNB4 P30926 2/20 0.44
CHRNA3 P32297 2/20 0.44
CHRNA4 P43681 2/20 0.44
CHRNA2 Q15822 2/20 0.44
LMNA P02545 1/20 0.44
TDP1 Q9NUW8 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
SCHEMBL14413519 0.86 HSD11B1 (0.60) HSD11B1SPRNAMPTCYP11B2SCD
SCHEMBL14276850 0.86 HSD11B1 (0.60) HSD11B1SPRNAMPTCYP11B2ALDH1A1
SCHEMBL20149062 0.86 HSD11B1 (0.63) HSD11B1SPRNAMPTCYP11B2SCD
SCHEMBL16886321 0.82 HSD11B1 (0.57) HSD11B1SPRNAMPTCYP11B2ALDH1A1
SCHEMBL14008938 0.82 HSD11B1 (0.57) HSD11B1SPRNAMPTCYP11B2ALDH1A1
SCHEMBL14035863 0.82 HSD11B1 (0.57) HSD11B1SPRNAMPTCYP11B2ALDH1A1
SCHEMBL16600285 0.82 HSD11B1 (0.56) HSD11B1SPRNAMPTSCDSCD5
SCHEMBL1197267 0.82 RAB9A (0.63) HSD11B1SPRSCD5ALDH1A1NPC1
SCHEMBL5901385 0.81 HSD11B1 (0.57) HSD11B1SPRNAMPTCYP11B2SCD
SCHEMBL29889680 0.79 HSD11B1 (0.56) HSD11B1SPRNAMPTCYP11B2SCD

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 17 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
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-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
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

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 HSD11B1 2613/4885SPR 3587/4885NAMPT 793/4885
US-20060211698-A1 Bicyclic heteroaryl derivatives for treating viruses HAVCR2, ZC3HAV1, SARS1 HSD11B1 542/4885SPR 3965/4885NAMPT 1943/4885
US-20080051384-A1 ANTIVIRAL AGENTS EIF2AK2, MAVS, ZC3HAV1 HSD11B1 3522/4885SPR 4165/4885NAMPT 810/4885

“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.