SCHEMBL240112

SCHEMBL240112

O=C(NC1C2CC3CC(C2)CC1C3)c1ccc(OC2CCC(C(O)c3ccccn3)CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.41
TTK P33981 1/20 0.41
AURKB Q96GD4 1/20 0.41
INCENP Q9NQS7 1/20 0.41
RAB9A P51151 3/20 0.39
LMNA P02545 2/20 0.39
ALDH1A1 P00352 1/20 0.39
PKM P14618 1/20 0.39
SLC5A7 Q9GZV3 1/20 0.39
EPHX2 P34913 3/20 0.39
KMT2A Q03164 2/20 0.39
HRH3 Q9Y5N1 1/20 0.37
NPC1 O15118 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HSD11B1 P28845 1/20 0.37

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
SCHEMBL242362 0.84 EPHX2 (0.45) RAB9ALMNAALDH1A1PKMSLC5A7
SCHEMBL239989 0.81 EPHX2 (0.42) RAB9ALMNAALDH1A1PKMSLC5A7
SCHEMBL239988 0.81 EPHX2 (0.42) RAB9ALMNAALDH1A1PKMSLC5A7
SCHEMBL240111 0.79 RAB9A (0.41) RAB9ALMNAALDH1A1PKMSLC5A7
SCHEMBL239046 0.79 HSD11B1 (0.40) RAB9AALDH1A1EPHX2HRH3L3MBTL1
SCHEMBL242613 0.77 EPHX2 (0.48) EPHX2KMT2AHRH3L3MBTL1HSD11B1
SCHEMBL242960 0.75 EPHX2 (0.49) EPHX2KMT2AHRH3L3MBTL1HSD11B1
SCHEMBL241231 0.74 EPHX2 (0.52) EPHX2HRH3L3MBTL1HSD11B1
SCHEMBL241230 0.74 EPHX2 (0.52) EPHX2HRH3L3MBTL1HSD11B1
SCHEMBL241023 0.74 EPHX2 (0.46) EPHX2KMT2AHRH3L3MBTL1HSD11B1

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-20120004209-A1 11-Beta-Hydroxysteroid Dehydrogenase Type 1 Active Compounds HIGH POINT PHARMACEUTICALS, LLC (US) 2012-01-05 US disclosed
US-8053447-B2 11β-hydroxysteroid dehydrogenase type 1 active compounds HIGH POINT PHARMACEUTICALS, LLC (US) 2011-11-08 US disclosed
US-20100292215-A1 11BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 ACTIVE COMPOUNDS HIGH POINT PHARMACEUTICALS, LLC (US) 2010-11-18 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 (2 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-20120004209-A1 11-Beta-Hydroxysteroid Dehydrogenase Type 1 Active Compounds HSD11B1, HSD3B1, HSD11B2 CYP3A4 294/4885TTK 4575/4885AURKB 4271/4885
US-20100292215-A1 11BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 ACTIVE COMPOUNDS HSD11B1, HSD3B1, HSD17B1 CYP3A4 204/4885TTK 4493/4885AURKB 3987/4885

“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.