Sugi Predict

Sugi Predict / Compounds / SCHEMBL4874323

SCHEMBL4874323

SCHEMBL4874323

CN1CCCC(CNCC=O)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ GFER P55789 1/20 0.35
▸ CHRNB2 P17787 1/20 0.35
▸ CHRNB4 P30926 1/20 0.35
▸ CHRNA3 P32297 1/20 0.35
▸ CHRNA4 P43681 1/20 0.35
▸ KCNH2 Q12809 3/20 0.34
▸ HRH3 Q9Y5N1 3/20 0.34
▸ CHRM2 P08172 2/20 0.34
▸ ADRA2A P08913 2/20 0.34
▸ CHRM1 P11229 2/20 0.34
▸ DRD1 P21728 2/20 0.34
▸ SLC6A2 P23975 2/20 0.34
▸ SLC6A4 P31645 2/20 0.34
▸ ADRA1A P35348 2/20 0.34
▸ OPRM1 P35372 2/20 0.34
▸ DRD3 P35462 2/20 0.34
▸ SIGMAR1 Q99720 2/20 0.34
▸ ABCB11 O95342 1/20 0.34
▸ CHRM4 P08173 1/20 0.34

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
SCHEMBL3937935 0.89 NAMPT (0.38) DRD3CHRM3NAMPT
SCHEMBL3924693 0.80 ADH1B (0.57) SMN1; SMN2GFERCHRNB2CHRNB4CHRNA3
SCHEMBL24510986 0.80 ADH1B (0.57) SMN1; SMN2GFERCHRNB2CHRNB4CHRNA3
SCHEMBL9036781 0.79 ADH1B (0.41) SMN1; SMN2GFERKCNH2HRH3CHRM2
SCHEMBL9962292 0.79 SAT1 (0.38) SMN1; SMN2GFERCHRNB2CHRNB4CHRNA3
SCHEMBL4894647 0.77 CHRNB2 (0.38) SMN1; SMN2GFERCHRNB2CHRNB4CHRNA3
SCHEMBL14155724 0.75 CCR3 (0.44) SMN1; SMN2GFERCHRNB2CHRNB4CHRNA3
SCHEMBL14559366 0.75 CCR3 (0.44) SMN1; SMN2GFERCHRNB2CHRNB4CHRNA3
SCHEMBL25051622 0.75 CYP2D6 (0.50) SMN1; SMN2GFERCHRNB2CHRNB4CHRNA3
SCHEMBL17207607 0.75 CCR3 (0.44) SMN1; SMN2GFERCHRNB2CHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080051384-A1 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. 2008-02-28 — — US claimed
US-20060211698-A1 Bicyclic heteroaryl derivatives for treating viruses GENELABS, INC. 2006-09-21 — — US claimed
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
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 SMN1; SMN2 3771/4885GFER 3679/4885CHRNB2 4885/4885
US-20060211698-A1 Bicyclic heteroaryl derivatives for treating viruses HAVCR2, ZC3HAV1, SARS1 SMN1; SMN2 2173/4885GFER 3712/4885CHRNB2 4875/4885
US-20080051384-A1 ANTIVIRAL AGENTS EIF2AK2, MAVS, ZC3HAV1 SMN1; SMN2 1929/4885GFER 3933/4885CHRNB2 4884/4885

“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.