SCHEMBL1968248

SCHEMBL1968248

CSc1nc(N2CCC(C(=O)O)C2)ccc1C(=O)NC1C2CC3CC(C2)CC1C3

nearest known ligand 0.81

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 16/20 0.81
PDE4A P27815 1/20 0.53
HSD17B3 P37058 1/20 0.53
PDE4B Q07343 1/20 0.53
PDE4C Q08493 1/20 0.53
PDE4D Q08499 1/20 0.53
SIGMAR1 Q99720 1/20 0.53
IDH1 O75874 5/20 0.50

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
SCHEMBL1968245 1.00 HSD11B1 (0.81) HSD11B1PDE4AHSD17B3PDE4BPDE4C
SCHEMBL1969210 0.90 HSD11B1 (1.00) HSD11B1IDH1
SCHEMBL1969737 0.90 HSD11B1 (1.00) HSD11B1IDH1
SCHEMBL1969736 0.90 HSD11B1 (1.00) HSD11B1IDH1
SCHEMBL2004913 0.88 HSD11B1 (0.86) HSD11B1IDH1
SCHEMBL1967790 0.88 HSD11B1 (0.86) HSD11B1IDH1
SCHEMBL3266372 0.88 HSD11B1 (0.86) HSD11B1IDH1
SCHEMBL4451259 0.88 HSD11B1 (0.86) HSD11B1IDH1
SCHEMBL13182710 0.87 HSD11B1 (0.63) HSD11B1PDE4AHSD17B3PDE4BPDE4C
SCHEMBL3245326 0.86 HSD11B1 (1.00) HSD11B1PDE4AHSD17B3PDE4BPDE4C

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-2086939-B8 PYRIDINE CARBOXAMIDES AS 11-BETA-HSD1 INHIBITORS ASTRAZENECA AB (SE) 2011-06-22 EP claimed
EP-2086939-A2 PYRIDINE CARBOXAMIDES AS 11-BETA-HSD1 INHIBITORS AstraZeneca AB (SE) 2009-08-12 EP claimed
WO-2008053194-A2 PYRIDINE CARBOXAMIDES AS 11-BETA-HSD1 INHIBITORS ASTRAZENECA AB (SE) 2008-05-08 WO claimed
US-7964618-B2 2-[(3R)-1-[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-pyridin-2-yl]-3-piperidyl]acetic acid, for example; compounds possess human 11- beta-hydroxysteroid dehydrogenase type1 enzyme (11 beta HSD1) inhibitory activity and accordingly have value in treatment of disease states including metabolic syndrome ASTRAZENECA AB (SE) 2011-06-21 US disclosed
US-20080269288-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2008-10-30 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-20080269288-A1 CHEMICAL COMPOUNDS HSD11B1, CYP11B1, CYP4A11 HSD11B1 1/4885PDE4A 436/4885HSD17B3 27/4885

“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.