SCHEMBL5447122

SCHEMBL5447122

O=C(O)CN(Cc1ccccc1)CC1(CO)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC2 Q92769 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
NCOR2 Q9Y618 2/20 0.39
MEP1B Q16820 3/20 0.39
OPRM1 P35372 2/20 0.37
OPRL1 P41146 2/20 0.37
NPSR1 Q6W5P4 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
CA12 O43570 1/20 0.36
CA9 Q16790 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TDP1 Q9NUW8 1/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
AKR1B1 P15121 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL5450908 0.87 HDAC3 (0.38) HDAC3HDAC1HDAC2HDAC8NCOR2
SCHEMBL212272 0.80 AKR1B1 (0.52) HDAC3HDAC1HDAC2HDAC8NCOR2
SCHEMBL11586184 0.78 MEP1B (0.47) HDAC3HDAC1HDAC2HDAC8NCOR2
SCHEMBL186172 0.78 MEP1B (0.50) HDAC3HDAC1HDAC2HDAC8NCOR2
SCHEMBL28688574 0.77 HTT (0.43) HDAC3HDAC1HDAC2HDAC8NCOR2
Ammonia Solution, Strong SCHEMBL27504556 0.76 MEP1B (0.49) HDAC3HDAC1HDAC2HDAC8NCOR2
SCHEMBL5439977 0.76 PPARG (0.37)
SCHEMBL2799777 0.75 TDP1 (0.52) HDAC3HDAC1HDAC2HDAC8NCOR2
SCHEMBL3132717 0.74 HTT (0.53) HDAC3HDAC1HDAC2HDAC8NCOR2
SCHEMBL9233359 0.74 POLB (0.54) OPRM1OPRL1MEN1KMT2ALMNA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070197506-A1 Modulators of 11-beta hydroxyl steroid dehydrogenase type 1, pharmaceutical compositions thereof, and methods of using the same INCYTE CORPORATION 2007-08-23 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-20070197506-A1 Modulators of 11-beta hydroxyl steroid dehydrogenase type 1, pharmaceutical compositions thereof, and methods of using the same HSD11B1, HSD17B1, HSD3B1 HDAC3 684/4885HDAC1 354/4885HDAC2 640/4885

“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.