SCHEMBL6337635

SCHEMBL6337635

O=C(NC12CC3CC(CC(C3)C1)C2)C1CCCN1OC(=O)C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.49
HSD11B1 P28845 1/20 0.43
KMT2A Q03164 3/20 0.43
EPHX2 P34913 4/20 0.43
EPHX1 P07099 3/20 0.43
FKBP1A P62942 5/20 0.38
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 2/20 0.37
POLB P06746 1/20 0.37
CACNA1H O95180 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
SCHEMBL5154842 0.82 EPHX2 (0.42) TSHRKMT2AEPHX2EPHX1ALDH1A1
SCHEMBL5160186 0.82 EPHX2 (0.42) TSHRKMT2AEPHX2EPHX1ALDH1A1
SCHEMBL3916424 0.78 EPHX2 (0.45) TSHRKMT2AEPHX2EPHX1ALDH1A1
SCHEMBL3275668 0.77 PDK2 (0.36) HSD11B1ALDH1A1
SCHEMBL3332688 0.76 KDM4E (0.46) TSHRHSD11B1KMT2AEPHX2ALDH1A1
SCHEMBL3330621 0.75 KDM4E (0.44) TSHRHSD11B1KMT2AEPHX2ALDH1A1
SCHEMBL3328327 0.75 KDM4E (0.48) TSHRHSD11B1KMT2AEPHX2ALDH1A1
SCHEMBL3332146 0.74 TSHR (0.36) TSHRKMT2AEPHX1ALDH1A1POLB
SCHEMBL28178861 0.72 DPP4 (0.33)
SCHEMBL5403207 0.72 PEPD (0.31) ALDH1A1

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-20050261302-A1 Inhibitors of the 11-beta-hydroxysteroid dehydrogenase Type 1 enzyme and their therapeutic application ABBOTT LABORATORIES 2005-11-24 US disclosed
US-20050245533-A1 Inhibitors of the 11-beta-hydroxysteroid dehydrogenaseType 1 enzyme and their therapeutic application ABBOTT LABORATORIES 2005-11-03 US disclosed
US-20050245532-A1 Inhibitors of the 11-beta-hydroxysteroid dehydrogenase Type 1 enzyme and their therapeutic application ABBOTT LABORATORIES 2005-11-03 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 (3 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-20050245532-A1 Inhibitors of the 11-beta-hydroxysteroid dehydrogenase Type 1 enzyme and their therapeutic application HSD11B1, HSD17B1, HSD3B1 TSHR 3124/4885HSD11B1 1/4885KMT2A 3064/4885
US-20050245533-A1 Inhibitors of the 11-beta-hydroxysteroid dehydrogenaseType 1 enzyme and their therapeutic application HSD11B1, HSD17B1, HSD3B1 TSHR 3216/4885HSD11B1 1/4885KMT2A 2859/4885
US-20050261302-A1 Inhibitors of the 11-beta-hydroxysteroid dehydrogenase Type 1 enzyme and their therapeutic application HSD11B1, HSD17B1, HSD3B1 TSHR 3124/4885HSD11B1 1/4885KMT2A 3064/4885

“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.