SCHEMBL2065091

SCHEMBL2065091

O=C1C(Cc2c(Cl)cc(O)cc2Cl)CCN1N1CCCCC1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
HSD11B1 P28845 1/20 0.32
CNR1 P21554 1/20 0.31
CHRNA7 P36544 2/20 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
SCHEMBL2065090 1.00 ESR1 (0.32) ESR1ESR2HSD11B1CNR1CHRNA7
SCHEMBL1091864 0.88 DBH (0.32) CNR1
SCHEMBL1091860 0.88 DBH (0.32) CNR1
SCHEMBL1092616 0.87 KDM4E (0.33)
SCHEMBL1092613 0.87 KDM4E (0.33)
SCHEMBL4514217 0.84 KMT2A (0.41) HSD11B1CHRNA7
SCHEMBL4517686 0.84 CYP26A1 (0.35) ESR1ESR2HSD11B1CHRNA7
Hydrochloric Acid SCHEMBL2065245 0.83 ALDH1A1 (0.34) CNR1CHRNA7
Hydrochloric Acid SCHEMBL2065599 0.83 ALDH1A1 (0.34) CNR1CHRNA7
SCHEMBL2065488 0.81 PDE4D (0.39)

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-2016071-B1 INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 LILLY CO ELI (US) 2013-07-24 EP disclosed
US-8148534-B2 Inhibitors of 11-beta-hydroxysteroid dehydrogenase 1 ELI LILLY AND COMPANY (US) 2012-04-03 US disclosed
US-20090275613-A1 INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2009-11-05 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-20090275613-A1 INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD11B2, HSD3B1 ESR1 1672/4885ESR2 1632/4885HSD11B1 1/4885

“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.