SCHEMBL4741479

SCHEMBL4741479

COC(=O)c1cncc(OC[C@H]2CCCN2C(=O)OC(C)(C)C)c1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 5/20 0.47
CHRNA4 P43681 4/20 0.47
CHRNA3 P32297 3/20 0.47
CHRNB4 P30926 2/20 0.47
UCHL1 P09936 1/20 0.46
USP30 Q70CQ3 1/20 0.46
CASP3 P42574 1/20 0.45
ALOX5AP P20292 1/20 0.44
FEN1 P39748 1/20 0.44
CHRNB1 P11230 1/20 0.43
CHRNB3 Q05901 1/20 0.43
CHRNA2 Q15822 1/20 0.43
F2RL3 Q96RI0 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
SCHEMBL29410752 0.85 CHRNB4 (0.47) CHRNB2CHRNA4CHRNA3CHRNB4UCHL1
SCHEMBL6582599 0.85 CHRNB2 (0.51) CHRNB2CHRNA4CHRNA3CHRNB4ALOX5AP
SCHEMBL29039401 0.85 CHRNB4 (0.47) CHRNB2CHRNA4CHRNA3CHRNB4UCHL1
SCHEMBL26999489 0.85 CHRNB4 (0.47) CHRNB2CHRNA4CHRNA3CHRNB4UCHL1
SCHEMBL2495176 0.85 CHRNB2 (0.61) CHRNB2CHRNA4CHRNA3CHRNB4UCHL1
SCHEMBL7370320 0.85 CHRNB2 (0.50) CHRNB2CHRNA4CHRNA3CHRNB4ALOX5AP
SCHEMBL1241249 0.85 CHRNB2 (0.50) CHRNB2CHRNA4CHRNA3CHRNB4ALOX5AP
SCHEMBL6587123 0.85 CHRNB2 (0.61) CHRNB2CHRNA4CHRNA3CHRNB4UCHL1
SCHEMBL1241247 0.85 CHRNB2 (0.50) CHRNB2CHRNA4CHRNA3CHRNB4ALOX5AP
SCHEMBL14941814 0.85 CHRNB2 (0.50) CHRNB2CHRNA4CHRNA3CHRNB4ALOX5AP

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-20080293712-A1 Benzo[C][2,7]Naphtyridine Derivatives, Methods of Making Thereof and Methods of Use Thereof WYETH (US) 2008-11-27 US disclosed
WO-2008109613-A1 BENZO[C][2,7]NAPHTHYRIDINE DERIVATIVES, AND THEIR USE AS KINASE INHIBITORS WYETH (US) 2008-09-12 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 (1 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-20080293712-A1 Benzo[C][2,7]Naphtyridine Derivatives, Methods of Making Thereof and Methods of Use Thereof PDPK1, PDK2, PDK3 CHRNB2 2779/4885CHRNA4 2092/4885CHRNA3 2363/4885

“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.