SCHEMBL1104453

SCHEMBL1104453

O=C(c1ccc(-c2ccc(C[C@@H]3CCN(N4CCC(O)CC4)C3=O)c(Cl)c2)cc1)N1CCC(C(F)(F)F)CC1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SPR P35270 5/20 0.37
NAMPT P43490 2/20 0.36
EIF4E P06730 1/20 0.36
HTR2B P41595 2/20 0.35
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
RHOC P08134 1/20 0.34
RHOA P61586 1/20 0.34
HDAC4 P56524 1/20 0.34
NTRK1 P04629 1/20 0.34
MGLL Q99685 3/20 0.34
GRM5 P41594 1/20 0.34
TRPV1 Q8NER1 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
SCHEMBL1092073 0.91 HTR2B (0.37) SPRNAMPTEIF4EHTR2BHSP90AA1
SCHEMBL1092071 0.91 HTR2B (0.37) SPRNAMPTEIF4EHTR2BHSP90AA1
SCHEMBL1093625 0.91 HTR2B (0.37) SPRNAMPTEIF4EHTR2BHSP90AA1
Water SCHEMBL1093098 0.91 HTR2B (0.37) SPRNAMPTEIF4EHTR2BHSP90AA1
Water SCHEMBL1093097 0.91 HTR2B (0.37) SPRNAMPTEIF4EHTR2BHSP90AA1
SCHEMBL13310762 0.88 HTR2B (0.35) SPRNAMPTEIF4EHTR2BHSP90AA1
SCHEMBL1094091 0.87 JAK2 (0.36) EIF4EHTR2BHSP90AA1HSP90AB1NTRK1
SCHEMBL1094093 0.87 JAK2 (0.36) EIF4EHTR2BHSP90AA1HSP90AB1NTRK1
SCHEMBL1093150 0.85 PIK3CA (0.37) SPRHTR2BTRPV1
SCHEMBL1093152 0.85 PIK3CA (0.37) SPRHTR2BTRPV1

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 6 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
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
US-20090111809-A1 INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 BUSH JULIE KAY 2009-04-30 US disclosed
WO-2007127688-A2 INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2007-11-08 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-20090111809-A1 INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD3B1, HSD11B2 SPR 232/4885NAMPT 1972/4885EIF4E 2877/4885

“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.