SCHEMBL6337057

SCHEMBL6337057

O=C(NC12CC3CC(CC(C3)C1)C2)C1CCCCN1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 8/20 0.47
EPHX2 P34913 7/20 0.47
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
SIGMAR1 Q99720 2/20 0.43
TSHR P16473 1/20 0.43
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL4827562 0.95 EPHX1 (0.51) EPHX1EPHX2MEN1KMT2ATSHR
SCHEMBL17437543 0.95 EPHX1 (0.51) EPHX1EPHX2MEN1KMT2ATSHR
SCHEMBL5160032 0.95 EPHX1 (0.51) EPHX1EPHX2MEN1KMT2ATSHR
SCHEMBL15994667 0.76 EPHX2 (0.49) EPHX2
SCHEMBL2638872 0.75 EPHX2 (0.57) EPHX1EPHX2MEN1KMT2ASIGMAR1
Hydrochloric Acid SCHEMBL9279520 0.75 TSHR (0.56) EPHX1EPHX2MEN1KMT2ATSHR
Hydrochloric Acid SCHEMBL9279531 0.75 TSHR (0.56) EPHX1EPHX2MEN1KMT2ATSHR
SCHEMBL2638571 0.74 EPHX2 (0.59) EPHX1EPHX2MEN1KMT2ASIGMAR1
SCHEMBL4536680 0.74 EPHX1 (0.58) EPHX1EPHX2MEN1KMT2AALDH1A1
SCHEMBL15962430 0.73 PRCP (0.46) TSHR

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 EPHX1 479/4885EPHX2 696/4885MEN1 2126/4885
US-20050245533-A1 Inhibitors of the 11-beta-hydroxysteroid dehydrogenaseType 1 enzyme and their therapeutic application HSD11B1, HSD17B1, HSD3B1 EPHX1 451/4885EPHX2 676/4885MEN1 2533/4885
US-20050261302-A1 Inhibitors of the 11-beta-hydroxysteroid dehydrogenase Type 1 enzyme and their therapeutic application HSD11B1, HSD17B1, HSD3B1 EPHX1 479/4885EPHX2 696/4885MEN1 2126/4885

“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.