SCHEMBL4886967

SCHEMBL4886967

NCCCCC(NC(=O)Cc1cccc2ccccc12)C(=O)Nc1ccc(CC2(C(N)=O)CCCCC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 1/20 0.47
▸ CHRNB4 P30926 1/20 0.47
▸ CHRNA3 P32297 1/20 0.47
▸ CHRNA4 P43681 1/20 0.47
▸ GRIN1 Q05586 1/20 0.47
▸ GRIN2A Q12879 1/20 0.47
▸ GRM1 Q13255 1/20 0.47
▸ NTMT1 Q9BV86 2/20 0.46
▸ MCHR1 Q99705 1/20 0.45
▸ LCK P06239 2/20 0.43
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA3 P07451 1/20 0.40
▸ CA4 P22748 1/20 0.40
▸ CA6 P23280 1/20 0.40
▸ CA5A P35218 1/20 0.40
▸ CA7 P43166 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ CA14 Q9ULX7 1/20 0.40

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
SCHEMBL4884651 0.87 NTMT1 (0.46) NTMT1CALCRLMC4RMC3RMC5R
SCHEMBL4885605 0.83 KDM1A (0.47) CALCRLPLG
SCHEMBL4886971 0.82 CHRNB2 (0.52) CHRNB2CHRNB4CHRNA3CHRNA4GRIN1
SCHEMBL4886959 0.81 GRIN1 (0.53) CHRNB2CHRNB4CHRNA3CHRNA4GRIN1
SCHEMBL4887077 0.81 PLG (0.45) CALCRLPLG
SCHEMBL4879319 0.79 F7 (0.43) CA1CA2PLGKMT2A
SCHEMBL4888152 0.78 MME (0.49) BDKRB2
SCHEMBL14596253 0.77 CHRNB2 (0.46) CHRNB2CHRNB4CHRNA3CHRNA4GRIN1
SCHEMBL14111122 0.77 CHRNB2 (0.46) CHRNB2CHRNB4CHRNA3CHRNA4GRIN1
SCHEMBL22129752 0.73 FOLH1 (0.55) CHRNB2CHRNB4CHRNA3CHRNA4GRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080171783-A1 COMPOSITIONS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISEASE MIGENIX INC. (CA) 2008-07-17 — — US disclosed
US-20070021434-A1 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF MIGENIX INC. (CA) 2007-01-25 — — 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 (2 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-20070021434-A1 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF HAVCR2, ADAR, NSUN2 CHRNB2 4867/4885CHRNB4 4855/4885CHRNA3 4628/4885
US-20080171783-A1 COMPOSITIONS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISEASE POLQ, POLI, POLH CHRNB2 4254/4885CHRNB4 4309/4885CHRNA3 4451/4885

“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.

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