SCHEMBL3453285

SCHEMBL3453285

O=C1C(Cc2c(Cl)cc(-c3ccc(N4CCOCC4)cc3)cc2Cl)CCN1[C@@H]1CCc2[nH]cnc2C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 3/20 0.36
PIK3CD O00329 1/20 0.36
PIK3CB P42338 1/20 0.36
SYK P43405 3/20 0.35
PRKDC P78527 1/20 0.35
AKT1 P31749 1/20 0.32
XDH P47989 1/20 0.32
TNKS O95271 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
TNKS2 Q9H2K2 1/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
QPCT Q16769 2/20 0.31
ROCK2 O75116 2/20 0.31
MAP3K11 Q16584 1/20 0.31
MAPK1 P28482 2/20 0.30
JAK2 O60674 1/20 0.30
PRKAB2 O43741 1/20 0.30
PRKAG1 P54619 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
SCHEMBL3453284 1.00 PIK3CA (0.36) PIK3CAPIK3CDPIK3CBSYKPRKDC
SCHEMBL3453287 1.00 PIK3CA (0.36) PIK3CAPIK3CDPIK3CBSYKPRKDC
SCHEMBL3453114 0.93 IP6K1 (0.34) ROCK2
SCHEMBL3453109 0.93 IP6K1 (0.34) ROCK2
SCHEMBL3453111 0.93 IP6K1 (0.34) ROCK2
SCHEMBL3453118 0.91 MAPKAPK2 (0.38) SYKMAPK1JAK2
SCHEMBL3458944 0.89 JAK2 (0.37) JAK2KDM4EALDH1A1HPGD
SCHEMBL3458949 0.89 JAK2 (0.37) JAK2KDM4EALDH1A1HPGD
SCHEMBL3458946 0.89 JAK2 (0.37) JAK2KDM4EALDH1A1HPGD
SCHEMBL3454124 0.88 HRH3 (0.38) JAK2HPGD

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 8 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-A1 CYCLOHEXYLIMIDAZOLE LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 Eli Lilly & Company (US) 2009-03-04 EP claimed
WO-2007124329-A1 CYCLOHEXYLIMIDAZOLE LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2007-11-01 WO claimed
EP-2029576-B1 CYCLOHEXYLIMIDAZOLE LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 LILLY CO ELI (US) 2013-06-19 EP disclosed
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

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 PIK3CA 739/4885PIK3CD 749/4885PIK3CB 1314/4885

“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.