SCHEMBL1093016

SCHEMBL1093016

O=C(c1ccc(-c2cc(Cl)c(CC3CCN(N4CCC(O)CC4)C3=O)c(Cl)c2)cc1)N1CCOCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.45
PKM P14618 1/20 0.42
PHGDH O43175 1/20 0.41
ERN1 O75460 1/20 0.41
HPGD P15428 2/20 0.40
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
ADRA2C P18825 1/20 0.40
CHRM3 P20309 1/20 0.40
DRD4 P21917 1/20 0.40
SLC6A2 P23975 1/20 0.40
HRH2 P25021 1/20 0.40
SLC6A4 P31645 1/20 0.40
HRH1 P35367 1/20 0.40
SLC6A3 Q01959 1/20 0.40
HRH4 Q9H3N8 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
AKR1C3 P42330 1/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL1093013 1.00 HRH3 (0.45) HRH3PKMPHGDHERN1HPGD
SCHEMBL2064352 0.89 HRH3 (0.40) HRH3HPGDKMT2AMEN1
SCHEMBL2064354 0.89 HRH3 (0.40) HRH3HPGDKMT2AMEN1
SCHEMBL1092387 0.88 FASN (0.35) HRH3HPGDKMT2A
SCHEMBL1092385 0.88 FASN (0.35) HRH3HPGDKMT2A
SCHEMBL1092071 0.87 HTR2B (0.37) HRH3
SCHEMBL1092073 0.87 HTR2B (0.37) HRH3
SCHEMBL1093625 0.87 HTR2B (0.37) HRH3
Water SCHEMBL1093098 0.86 HTR2B (0.37) HRH3
Water SCHEMBL1093097 0.86 HTR2B (0.37) HRH3

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
US-8153807-B2 Inhibitors of 11-beta-hydroxysteroid dehydrogenase 1 ELI LILLY AND COMPANY (US) 2012-04-10 US disclosed
EP-2021336-B1 INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 LILLY CO ELI (US) 2010-06-30 EP disclosed
US-20090111809-A1 INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 BUSH JULIE KAY 2009-04-30 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-20090111809-A1 INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD3B1, HSD11B2 HRH3 3118/4885PKM 1532/4885PHGDH 242/4885

“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.