SCHEMBL12282385

SCHEMBL12282385

COC(=O)[C@@H]1[C@@H](C)CC(CI)N1C(=O)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.51
CPB1 P15086 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
CACNA1G O43497 1/20 0.43
CACNA1H O95180 1/20 0.43
CACNA1I Q9P0X4 1/20 0.43
CYP2C19 P33261 3/20 0.42
CYP2C9 P11712 2/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
POLB P06746 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 2/20 0.41
MITF O75030 1/20 0.41
MAPT P10636 1/20 0.41
PSEN1 P49768 1/20 0.41

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
SCHEMBL13015346 0.87 HTR2C (0.47) HTR2CCPB1SMN1; SMN2NPC1RAB9A
SCHEMBL12282046 0.84 HTR2C (0.51) HTR2CCPB1SMN1; SMN2NPC1RAB9A
SCHEMBL8301426 0.81 ALDH1A1 (0.43) HTR2CCPB1SMN1; SMN2NPC1RAB9A
SCHEMBL29979939 0.81 HTR2C (0.58) HTR2CCPB1SMN1; SMN2NPC1RAB9A
SCHEMBL17234175 0.81 HTR2C (0.58) HTR2CCPB1SMN1; SMN2NPC1RAB9A
SCHEMBL29587713 0.81 HTR2C (0.59) HTR2CCPB1SMN1; SMN2NPC1RAB9A
SCHEMBL9546447 0.77 HTR2C (0.57) HTR2CCPB1SMN1; SMN2NPC1RAB9A
SCHEMBL29587180 0.77 HCRTR2 (0.57) HTR2CCPB1SMN1; SMN2NPC1RAB9A
SCHEMBL11151887 0.75 HTR2C (0.49) HTR2CCPB1SMN1; SMN2NPC1RAB9A
SCHEMBL883433 0.75 NPC1 (0.51) HTR2CSMN1; SMN2NPC1RAB9AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9440958-B2 Substituted cyclic hydroxamates as inhibitors of matrix metalloproteinases INCYTE CORPORATION (US) 2016-09-13 US disclosed
US-20150025056-A1 SUBSTITUTED CYCLIC HYDROXAMATES AS INHIBITORS OF MATRIX METALLOPROTEINASES INCYTE CORPORATION (US) 2015-01-22 US disclosed
US-8853243-B2 Substituted cyclic hydroxamates as inhibitors of matrix metalloproteinases INCYTE CORPORATION (US) 2014-10-07 US disclosed
US-20110224189-A1 SUBSTITUTED CYCLIC HYDROXAMATES AS INHIBITORS OF MATRIX METALLOPROTEINASES INCYTE CORPORATION 2011-09-15 US disclosed
US-7973041-B2 Antiarthritic agents; psoriasis; anticancer agents;antiallergens; metalloprotease inhibitors. INCYTE CORPORATION (US) 2011-07-05 US disclosed
US-7491724-B2 Substituted cyclic hydroxamates as inhibitors of matrix metalloproteinases INCYTE CORPORATION (US) 2009-02-17 US disclosed
US-20080167288-A1 Substituted cyclic hydroxamates as lnhibitors of matrix metalloproteinases LNCYTE CORPORATION (US) 2008-07-10 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-20110224189-A1 SUBSTITUTED CYCLIC HYDROXAMATES AS INHIBITORS OF MATRIX METALLOPROTEINASES MMP25, MMP14, MMP9 HTR2C 2401/4885CPB1 158/4885SMN1; SMN2 4489/4885
US-20150025056-A1 SUBSTITUTED CYCLIC HYDROXAMATES AS INHIBITORS OF MATRIX METALLOPROTEINASES MMP25, MMP2, MMP14 HTR2C 2380/4885CPB1 146/4885SMN1; SMN2 4463/4885
US-20080167288-A1 Substituted cyclic hydroxamates as lnhibitors of matrix metalloproteinases MMP25, MMP9, MMP24 HTR2C 2239/4885CPB1 326/4885SMN1; SMN2 4055/4885

“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.