SCHEMBL3453048

SCHEMBL3453048

CCCNS(=O)(=O)c1ccc(-c2cc(Cl)c(C[C@@H]3CCN(C4CCc5[nH]cnc5C4)C3=O)c(Cl)c2)cc1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
ALDH1A1 P00352 2/20 0.32
LMNA P02545 1/20 0.32
BRD4 O60885 1/20 0.32
PLK1 P53350 1/20 0.32
PLK3 Q9H4B4 1/20 0.32
PLK2 Q9NYY3 1/20 0.32
MAPT P10636 1/20 0.32
TP53 P04637 1/20 0.31
HTR2C P28335 1/20 0.30
HTR2B P41595 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL3453045 0.89 SMN1; SMN2 (0.32) ALDH1A1LMNABRD4
SCHEMBL3454747 0.89 PTGS2 (0.32)
SCHEMBL3454743 0.89 PTGS2 (0.32)
SCHEMBL3454741 0.89 PTGS2 (0.32)
SCHEMBL13109207 0.86 MERTK (0.31) ALDH1A1LMNATP53
SCHEMBL3453865 0.86 ADRA1A (0.32)
SCHEMBL13109213 0.86 HTR2B (0.34) ALDH1A1HTR2B
Isopropylamine SCHEMBL15016369 0.85
SCHEMBL3454276 0.85 HTR2B (0.34) KCNH2HRH3ALDH1A1HTR2B
SCHEMBL3454274 0.85 HTR2B (0.34) KCNH2HRH3ALDH1A1HTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2029576-B1 CYCLOHEXYLIMIDAZOLE LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 LILLY CO ELI (US) 2013-06-19 EP claimed
US-7820659-B2 Cyclohexylimidiazole lactam derivatives as inhibitors of 11-β-hydroxysteroid dehydrogenase 1 ELI LILLY AND COMPANY (US) 2010-10-26 US claimed
US-20090088428-A1 CYCLOHEXYLIMIDIAZOLE LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY 2009-04-02 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-20090088428-A1 CYCLOHEXYLIMIDIAZOLE LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD17B1, HSD11B2 KCNH2 4258/4885HRH3 3005/4885ALDH1A1 84/4885

“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.