SCHEMBL209661

SCHEMBL209661

O=C(c1ccc(-c2cc(Cl)c(CC3CCN(C4CCOCC4)C3=O)c(Cl)c2)cc1)N1CCOCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.44
PHGDH O43175 1/20 0.44
HRH3 Q9Y5N1 8/20 0.43
ERN1 O75460 1/20 0.42
HPGD P15428 1/20 0.42
CHRM2 P08172 1/20 0.42
CHRM1 P11229 1/20 0.42
ADRA2C P18825 1/20 0.42
CHRM3 P20309 1/20 0.42
DRD4 P21917 1/20 0.42
SLC6A2 P23975 1/20 0.42
HRH2 P25021 1/20 0.42
SLC6A4 P31645 1/20 0.42
HRH1 P35367 1/20 0.42
SLC6A3 Q01959 1/20 0.42
HRH4 Q9H3N8 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
AKR1C3 P42330 1/20 0.41
JAK2 O60674 1/20 0.40
KMT2A Q03164 2/20 0.40

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
SCHEMBL209660 1.00 PKM (0.44) PKMPHGDHHRH3ERN1HPGD
SCHEMBL207860 0.94 BMPR1B (0.43) PKMPHGDHHRH3ERN1HPGD
SCHEMBL209228 0.94 HRH3 (0.43) PKMPHGDHHRH3ERN1HPGD
SCHEMBL209227 0.94 HRH3 (0.43) PKMPHGDHHRH3ERN1HPGD
SCHEMBL209229 0.94 HRH3 (0.43) PKMPHGDHHRH3ERN1HPGD
SCHEMBL209673 0.94 HRH3 (0.43) PKMPHGDHHRH3ERN1HPGD
SCHEMBL209381 0.93 HRH3 (0.44) HRH3HPGDCHRM2CHRM1ADRA2C
SCHEMBL14391384 0.93 PARP1 (0.38) PKMPHGDHHRH3ERN1CHRM2
SCHEMBL209380 0.93 HRH3 (0.44) HRH3HPGDCHRM2CHRM1ADRA2C
SCHEMBL2721361 0.92 HRH3 (0.37) PKMPHGDHHRH3ERN1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2016047-B1 BIPHENYL AMIDE LACTAM DERIVATIVES AS INHIBITORS OF 11- BETA-HYDROXYSTEROID DEHYDROGENASE 1 LILLY CO ELI (US) 2013-08-28 EP claimed
US-8088776-B2 Biphenyl amide lactam derivatives as inhibitors of 11-beta-hydroxysteroid dehydrogenase 1 ELI LILLY AND COMPANY (US) 2012-01-03 US claimed
US-20090156571-A1 BIPHENYL AMIDE LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY 2009-06-18 US claimed
EP-2016047-B1 BIPHENYL AMIDE LACTAM DERIVATIVES AS INHIBITORS OF 11- BETA-HYDROXYSTEROID DEHYDROGENASE 1 LILLY CO ELI (US) 2013-08-28 EP disclosed
WO-2007124337-A1 BIPHENYL AMIDE 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-20090156571-A1 BIPHENYL AMIDE LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD17B1, HSD11B2 PKM 2621/4885PHGDH 397/4885HRH3 1964/4885

“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.