SCHEMBL4698929

SCHEMBL4698929

O=C1C(Cc2ccc3ccccc3c2Br)CCN1C1CCCCC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.58
GABRA1 P14867 2/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
SIGMAR1 Q99720 3/20 0.37
RAB9A P51151 3/20 0.37
PKM P14618 2/20 0.37
GAA P10253 1/20 0.37
HIF1A Q16665 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
GABRB2 P47870 1/20 0.36
NCEH1 Q6PIU2 2/20 0.36
NPC1 O15118 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL4698580 0.86 HSD11B1 (0.58) HSD11B1SIGMAR1RAB9APKMGAA
SCHEMBL4523952 0.85 HSD11B1 (0.64) HSD11B1SIGMAR1GAAHPGDKDM4E
SCHEMBL4697026 0.83 HSD11B1 (0.61) HSD11B1SIGMAR1ALDH1A1MEN1KMT2A
SCHEMBL4698183 0.83 HSD11B1 (0.61) HSD11B1SIGMAR1ALDH1A1MEN1KMT2A
SCHEMBL3547913 0.80 HSD11B1 (0.67) HSD11B1GAAHPGDALDH1A1ATM
SCHEMBL4697551 0.79 HSD11B1 (0.58) HSD11B1GAAHIF1ACYP1A2CYP2C9
SCHEMBL4697965 0.79 HSD11B1 (0.61) HSD11B1PKMGAAHIF1AHTT
SCHEMBL4518739 0.78 HSD11B1 (0.67) HSD11B1GAAHTTSMN1; SMN2KDM4E
SCHEMBL4698098 0.76 HSD11B1 (0.55) HSD11B1GAACYP3A4CYP2C9HPGD
SCHEMBL3543212 0.76 HSD11B1 (0.68) HSD11B1RAB9AGAANPC1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080214621-A1 Cycloalkyl Lactam Derivatives As Inhibitors Of 11-Beta-Hydroxysteroid Dehydrogenase 1 ELI LILLY AND COMPANY 2008-09-04 US claimed
EP-1830841-B1 CYCLOALKYL LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 LILLY CO ELI (US) 2008-07-02 EP claimed
EP-1830841-A1 CYCLOALKYL LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2007-09-12 EP claimed
WO-2006068992-A1 CYCLOALKYL LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2006-06-29 WO claimed
US-20080214621-A1 Cycloalkyl Lactam Derivatives As Inhibitors Of 11-Beta-Hydroxysteroid Dehydrogenase 1 ELI LILLY AND COMPANY 2008-09-04 US disclosed
US-20080214621-A1 Cycloalkyl Lactam Derivatives As Inhibitors Of 11-Beta-Hydroxysteroid Dehydrogenase 1 ELI LILLY AND COMPANY 2008-09-04 US disclosed
US-20080214621-A1 Cycloalkyl Lactam Derivatives As Inhibitors Of 11-Beta-Hydroxysteroid Dehydrogenase 1 ELI LILLY AND COMPANY 2008-09-04 US disclosed
EP-1830841-B1 CYCLOALKYL LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 LILLY CO ELI (US) 2008-07-02 EP disclosed
EP-1830841-B1 CYCLOALKYL LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 LILLY CO ELI (US) 2008-07-02 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-20080214621-A1 Cycloalkyl Lactam Derivatives As Inhibitors Of 11-Beta-Hydroxysteroid Dehydrogenase 1 HSD11B1, HSD17B1, HSD3B1 HSD11B1 1/4885GABRA1 3758/4885GABRG2 4241/4885

“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.