SCHEMBL3453045

SCHEMBL3453045

CC(C)NS(=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
SMN1; SMN2 Q16637 3/20 0.32
ALDH1A1 P00352 6/20 0.32
MMP13 P45452 2/20 0.32
LMNA P02545 1/20 0.32
STAT3 P40763 1/20 0.32
HTT P42858 1/20 0.32
DUT P33316 1/20 0.30
MMP1 P03956 1/20 0.30
MMP2 P08253 1/20 0.30
MMP3 P08254 1/20 0.30
MMP7 P09237 1/20 0.30
BRD4 O60885 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL3453047 1.00 SMN1; SMN2 (0.32) SMN1; SMN2ALDH1A1MMP13LMNASTAT3
SCHEMBL13125253 0.95 ALDH1A1 (0.30) ALDH1A1
SCHEMBL3454741 0.89 PTGS2 (0.32)
SCHEMBL3454743 0.89 PTGS2 (0.32)
SCHEMBL3454747 0.89 PTGS2 (0.32)
SCHEMBL3453048 0.89 KCNH2 (0.34) ALDH1A1LMNABRD4
Isopropylamine SCHEMBL15016369 0.89
SCHEMBL13109213 0.88 HTR2B (0.34) ALDH1A1MMP13
SCHEMBL3454276 0.87 HTR2B (0.34) ALDH1A1
SCHEMBL13109207 0.87 MERTK (0.31) SMN1; SMN2ALDH1A1LMNAHTT

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 6 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
US-7820659-B2 Cyclohexylimidiazole lactam derivatives as inhibitors of 11-β-hydroxysteroid dehydrogenase 1 ELI LILLY AND COMPANY (US) 2010-10-26 US disclosed
US-20090088428-A1 CYCLOHEXYLIMIDIAZOLE LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY 2009-04-02 US disclosed
WO-2007124329-A1 CYCLOHEXYLIMIDAZOLE LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2007-11-01 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-20090088428-A1 CYCLOHEXYLIMIDIAZOLE LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD17B1, HSD11B2 SMN1; SMN2 4131/4885ALDH1A1 84/4885MMP13 568/4885

“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.