SCHEMBL208955

SCHEMBL208955

O=C(c1ccc(-c2cc(Cl)c(CC3CCN(C4CCC(O)CC4)C3=O)c(Cl)c2)cc1)N1CCNCC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCNC P24863 10/20 0.39
CDK8 P49336 10/20 0.39
PARP1 P09874 1/20 0.38
PARP2 Q9UGN5 1/20 0.38
TDO2 P48775 1/20 0.38
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
KDM4E B2RXH2 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TPSAB1 Q15661 1/20 0.36
TPSD1 Q9BZJ3 1/20 0.36
TPSG1 Q9NRR2 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
KCNH2 Q12809 2/20 0.35
BRD4 O60885 1/20 0.35

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
SCHEMBL208953 1.00 CCNC (0.39) CCNCCDK8PARP1PARP2TDO2
SCHEMBL208954 1.00 CCNC (0.39) CCNCCDK8PARP1PARP2TDO2
Hydrochloric Acid SCHEMBL15204229 0.99 CCNC (0.39) CCNCCDK8PARP1PARP2TDO2
Hydrochloric Acid SCHEMBL15204230 0.99 CCNC (0.39) CCNCCDK8PARP1PARP2TDO2
Hydrochloric Acid SCHEMBL15204231 0.99 CCNC (0.39) CCNCCDK8PARP1PARP2TDO2
SCHEMBL209556 0.92 HSD11B1 (0.43) CCNCCDK8PARP1PARP2TDO2
SCHEMBL14391384 0.90 PARP1 (0.38) CCNCCDK8PARP1PARP2TDO2
SCHEMBL209858 0.90 HRH3 (0.44) L3MBTL1
SCHEMBL209856 0.90 HRH3 (0.44) L3MBTL1
SCHEMBL209857 0.90 HRH3 (0.44) L3MBTL1

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-8088776-B2 Biphenyl amide lactam derivatives as inhibitors of 11-beta-hydroxysteroid dehydrogenase 1 ELI LILLY AND COMPANY (US) 2012-01-03 US claimed
US-20090156571-A1 BIPHENYL AMIDE LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY 2009-06-18 US claimed

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-20090156571-A1 BIPHENYL AMIDE LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD17B1, HSD11B2 CCNC 3707/4885CDK8 3496/4885PARP1 1052/4885

“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.