SCHEMBL4886959

SCHEMBL4886959

NCCCCC(NC(=O)Cc1cccc2ccccc12)C(=O)Nc1ccc(CNC(=O)C2CCCCC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIN1 Q05586 2/20 0.53
▸ GRIN2A Q12879 2/20 0.53
▸ CHRNB2 P17787 1/20 0.53
▸ CHRNB4 P30926 1/20 0.53
▸ CHRNA3 P32297 1/20 0.53
▸ CHRNA4 P43681 1/20 0.53
▸ GRM1 Q13255 1/20 0.53
▸ NTMT1 Q9BV86 2/20 0.53
▸ MCHR1 Q99705 1/20 0.47
▸ PLG P00747 1/20 0.47
▸ LCK P06239 1/20 0.45
▸ MC4R P32245 1/20 0.44
▸ MC3R P41968 1/20 0.44
▸ KLKB1 P03952 1/20 0.44
▸ NMT2 O60551 4/20 0.43
▸ NMT1 P30419 4/20 0.43
▸ BDKRB2 P30411 2/20 0.43
▸ CTSL P07711 1/20 0.42
▸ CTSB P07858 1/20 0.42
▸ CTSS P25774 1/20 0.42

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
SCHEMBL4886971 0.89 CHRNB2 (0.52) GRIN1GRIN2ACHRNB2CHRNB4CHRNA3
SCHEMBL4884646 0.88 NTMT1 (0.51) GRIN1GRIN2ANTMT1PLGKLKB1
SCHEMBL4885602 0.84 PLG (0.54) GRIN1GRIN2APLGKLKB1CTSB
SCHEMBL4887070 0.82 PLG (0.55) GRIN1GRIN2APLGKLKB1CTSB
SCHEMBL4886967 0.81 CHRNB2 (0.47) GRIN1GRIN2ACHRNB2CHRNB4CHRNA3
SCHEMBL14111122 0.81 CHRNB2 (0.46) GRIN1GRIN2ACHRNB2CHRNB4CHRNA3
SCHEMBL14596253 0.81 CHRNB2 (0.46) GRIN1GRIN2ACHRNB2CHRNB4CHRNA3
SCHEMBL4879315 0.79 CPB2 (0.50) GRIN1GRIN2APLGKLKB1
SCHEMBL4888144 0.79 UTS2R (0.47) BDKRB2
SCHEMBL4884654 0.77 NTMT1 (0.50) NTMT1PLGMC4RMC3RBDKRB2

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 GRIN1 3488/4885GRIN2A 3906/4885CHRNB2 4867/4885
US-20080171783-A1 COMPOSITIONS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISEASE POLQ, POLI, POLH GRIN1 4667/4885GRIN2A 4730/4885CHRNB2 4254/4885

“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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