SCHEMBL3454124

SCHEMBL3454124

O=C(c1ccc(-c2cc(Cl)c(CC3CCN([C@@H]4CCc5[nH]cnc5C4)C3=O)c(Cl)c2)cc1)N1CCOCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.38
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
ADRA2C P18825 1/20 0.38
CHRM3 P20309 1/20 0.38
DRD4 P21917 1/20 0.38
SLC6A2 P23975 1/20 0.38
HRH2 P25021 1/20 0.38
SLC6A4 P31645 1/20 0.38
HRH1 P35367 1/20 0.38
SLC6A3 Q01959 1/20 0.38
HRH4 Q9H3N8 1/20 0.38
JAK2 O60674 1/20 0.36
MET P08581 1/20 0.35
PKM P14618 1/20 0.35
ERN1 O75460 1/20 0.35
MAPKAPK2 P49137 1/20 0.34
APC P25054 1/20 0.34
PHGDH O43175 1/20 0.34
EIF4E P06730 1/20 0.34

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
SCHEMBL3452979 1.00 HRH3 (0.38) HRH3CHRM2CHRM1ADRA2CCHRM3
SCHEMBL3454123 1.00 HRH3 (0.38) HRH3CHRM2CHRM1ADRA2CCHRM3
Hydrochloric Acid SCHEMBL3453831 0.99 HRH3 (0.37) HRH3CHRM2CHRM1ADRA2CCHRM3
Hydrochloric Acid SCHEMBL3453439 0.99 HRH3 (0.37) HRH3CHRM2CHRM1ADRA2CCHRM3
Hydrochloric Acid SCHEMBL3453828 0.99 HRH3 (0.37) HRH3CHRM2CHRM1ADRA2CCHRM3
SCHEMBL3454277 0.91 PDE5A (0.39) HRH3METMAPKAPK2HPGDRIPK1
SCHEMBL3454076 0.90 POLB (0.34) JAK2METHPGD
SCHEMBL3453411 0.90 KMT2A (0.36) HRH3MET
SCHEMBL3454079 0.90 POLB (0.34) JAK2METHPGD
SCHEMBL3453856 0.90 POLB (0.34) JAK2METHPGD

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 HRH3 3005/4885CHRM2 4461/4885CHRM1 3193/4885

“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.