SCHEMBL3454274

SCHEMBL3454274

O=C1C(Cc2c(Cl)cc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3)cc2Cl)CCN1[C@@H]1CCc2[nH]cnc2C1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 2/20 0.34
PKM P14618 1/20 0.34
ALDH1A1 P00352 4/20 0.33
TSHR P16473 1/20 0.33
NAMPT P43490 1/20 0.33
KCNH2 Q12809 2/20 0.33
HRH3 Q9Y5N1 2/20 0.33
GAA P10253 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 2/20 0.32
POLB P06746 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
IKBKB O14920 1/20 0.32
CHUK O15111 1/20 0.32
ATM Q13315 1/20 0.32

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
SCHEMBL3454272 1.00 HTR2B (0.34) HTR2BPKMALDH1A1TSHRNAMPT
SCHEMBL3454276 1.00 HTR2B (0.34) HTR2BPKMALDH1A1TSHRNAMPT
SCHEMBL13109213 0.98 HTR2B (0.34) HTR2BPKMALDH1A1TSHRGAA
SCHEMBL3458946 0.92 JAK2 (0.37) ALDH1A1TSHRKCNH2HRH3GAA
SCHEMBL3458949 0.92 JAK2 (0.37) ALDH1A1TSHRKCNH2HRH3GAA
SCHEMBL3458944 0.92 JAK2 (0.37) ALDH1A1TSHRKCNH2HRH3GAA
SCHEMBL3454741 0.90 PTGS2 (0.32)
SCHEMBL3454747 0.90 PTGS2 (0.32)
SCHEMBL3454743 0.90 PTGS2 (0.32)
SCHEMBL3453111 0.88 IP6K1 (0.34)

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 4 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
EP-2029576-B1 CYCLOHEXYLIMIDAZOLE LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 LILLY CO ELI (US) 2013-06-19 EP 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 HTR2B 1153/4885PKM 2007/4885ALDH1A1 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.