SCHEMBL13767285

SCHEMBL13767285

CCOC(=O)N1CCC(CCn2ncc(C(=O)NC3C4CC5CC(C4)CC3C5)c2OCC(F)(F)F)CC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
HSD17B10 Q99714 2/20 0.41
ALDH1A1 P00352 4/20 0.40
HSD11B1 P28845 8/20 0.40
LMNA P02545 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TSHR P16473 1/20 0.38
THRB P10828 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HTT P42858 1/20 0.36

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
SCHEMBL13767288 0.92 HSD11B1 (0.38) KDM4EHSD17B10HSD11B1LMNAHTT
SCHEMBL13767286 0.91 HSD11B1 (0.39) HSD11B1LMNAHTT
SCHEMBL13767259 0.89 KDM4E (0.41) KDM4EHSD17B10ALDH1A1HSD11B1LMNA
SCHEMBL13767299 0.87 HSD11B1 (0.39) HSD11B1LMNAHTT
SCHEMBL13767291 0.87 HSD11B1 (0.41) ALDH1A1HSD11B1LMNAHPGDSMN1; SMN2
SCHEMBL13767261 0.85 HSD11B1 (0.42) HSD11B1LMNAHPGDSMN1; SMN2HTT
SCHEMBL13767008 0.81 HSD11B1 (0.46) HSD11B1LMNAHTT
SCHEMBL13767265 0.79 HSD11B1 (0.41) HSD11B1LMNAHPGDSMN1; SMN2HTT
SCHEMBL13767263 0.78 HSD11B1 (0.39) HSD11B1LMNAHTT
SCHEMBL13767073 0.78 HSD11B1 (0.42) HSD11B1LMNAHTT

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-1953145-B1 HETEROCYCLIC COMPOUND HAVING INHIBITORY ACTIVITY ON 11-B-HYDROXYSTEROID DEHYDROGENASE TYPE I SHIONOGI & CO (JP) 2015-11-04 EP disclosed
US-8324265-B2 Heterocyclic compounds having type I 11β hydroxysteroid dehydrogenase inhibitory activity SHIONOGI & CO., LTD. (JP) 2012-12-04 US disclosed
US-8324265-B2 Heterocyclic compounds having type I 11β hydroxysteroid dehydrogenase inhibitory activity SHIONOGI & CO., LTD. (JP) 2012-12-04 US disclosed
US-20090170832-A1 HETEROCYCLIC COMPOUNDS HAVING TYPE I 11beta HYDROXYSTEROID DEHYDROGENASE INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2009-07-02 US disclosed
US-20090170832-A1 HETEROCYCLIC COMPOUNDS HAVING TYPE I 11beta HYDROXYSTEROID DEHYDROGENASE INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2009-07-02 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-20090170832-A1 HETEROCYCLIC COMPOUNDS HAVING TYPE I 11beta HYDROXYSTEROID DEHYDROGENASE INHIBITORY ACTIVITY HSD17B1, HSD11B1, HSD3B1 KDM4E 2442/4885HSD17B10 19/4885ALDH1A1 207/4885

“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.