SCHEMBL4014701

SCHEMBL4014701

O=CCN1CCN2CCCC2C1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 8/20 0.48
CHRM5 P08912 2/20 0.48
CHRM1 P11229 2/20 0.48
CHRM2 P08172 1/20 0.48
CHRM4 P08173 1/20 0.48
CHRM3 P20309 1/20 0.48
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
HTR7 P34969 2/20 0.34
POLB P06746 1/20 0.34
LMNA P02545 1/20 0.33

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
SCHEMBL3939637 0.93 SIGMAR1 (0.41) SIGMAR1CHRM5CHRM1CHRM2CHRM4
SCHEMBL29824951 0.82 SIGMAR1 (0.45) SIGMAR1CHRM5CHRM1CHRM2CHRM4
SCHEMBL2555402 0.78 SIGMAR1 (0.36) SIGMAR1
SCHEMBL27773363 0.76 SIGMAR1 (0.47) SIGMAR1CHRM5CHRM1CHRM2CHRM4
SCHEMBL3972264 0.75 SIGMAR1 (0.46) SIGMAR1CHRM5CHRM1CHRM2CHRM4
SCHEMBL3932472 0.75 L3MBTL3 (0.40) TSHR
SCHEMBL12605421 0.75 SIGMAR1 (0.47) SIGMAR1CHRM5CHRM1CHRM2CHRM4
SCHEMBL14941721 0.75 SIGMAR1 (0.47) SIGMAR1CHRM5CHRM1CHRM2CHRM4
SCHEMBL10080968 0.75 SIGMAR1 (0.47) SIGMAR1CHRM5CHRM1CHRM2CHRM4
SCHEMBL3930612 0.75 L3MBTL3 (0.38) TSHR

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-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

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 SIGMAR1 3445/4885CHRM5 4877/4885CHRM1 4875/4885
US-20060211698-A1 Bicyclic heteroaryl derivatives for treating viruses HAVCR2, ZC3HAV1, SARS1 SIGMAR1 3246/4885CHRM5 4831/4885CHRM1 4856/4885
US-20080051384-A1 ANTIVIRAL AGENTS EIF2AK2, MAVS, ZC3HAV1 SIGMAR1 1344/4885CHRM5 4854/4885CHRM1 4843/4885

“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.