SCHEMBL2172883

SCHEMBL2172883

CN(C(=O)c1ccccc1)C1CN(c2ccccc2)CC[N]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.41
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
USP30 Q70CQ3 2/20 0.39
CCR5 P51681 2/20 0.38
PDK2 Q15119 2/20 0.38
KDM5A P29375 1/20 0.38
ADRB1 P08588 1/20 0.38
MCHR1 Q99705 2/20 0.37
HTR2C P28335 1/20 0.37
LMNA P02545 2/20 0.37
MAPT P10636 2/20 0.37
TSHR P16473 2/20 0.37
USP2 O75604 1/20 0.37
MAPK1 P28482 1/20 0.37
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 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
SCHEMBL2422800 0.83 NOTUM (0.40) NOTUMCCR5MCHR1HTR2CMAPT
SCHEMBL4468038 0.80 NOTUM (0.39) NOTUMADRB1MCHR1LMNAMAPT
SCHEMBL2172788 0.71 ADAM10 (0.43) NOTUMMCHR1LMNAMAPTUSP2
SCHEMBL7604480 0.70 MCHR1 (0.54) USP30PDK2KDM5AMCHR1
SCHEMBL11554342 0.69 USP30 (0.53) NOTUMUSP30CCR5MCHR1
SCHEMBL3723808 0.69 NOTUM (0.47) NOTUMADRB1LMNAMAPTTSHR
SCHEMBL5802210 0.69 DRD2 (0.46) NOTUMUSP30ADRB1HTR2CMAPT
SCHEMBL2172885 0.68 ADRB1 (0.43) NOTUMADRB1MCHR1LMNAMAPT
SCHEMBL27651806 0.68 TSHR (0.51) OPRD1OPRK1HTR2CLMNAMAPT
SCHEMBL2524098 0.67 NOTUM (0.45) NOTUMUSP30ADRB1TSHRALDH1A1

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-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
EP-2264030-A1 Substituted cyclic hydroxamates as inhibitors of matrix metalloproteinases Incyte Corporation (US) 2010-12-22 EP 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
US-20050113344-A1 Substituted cyclic hydroxamates as inhibitors of matrix metalloproteinases INCYTE CORPORATION 2005-05-26 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 NOTUM 409/4885OPRD1 3069/4885OPRK1 3114/4885
US-20080167288-A1 Substituted cyclic hydroxamates as lnhibitors of matrix metalloproteinases MMP25, MMP9, MMP24 NOTUM 1104/4885OPRD1 3306/4885OPRK1 3727/4885
US-20050113344-A1 Substituted cyclic hydroxamates as inhibitors of matrix metalloproteinases MMP25, MMP2, MMP14 NOTUM 449/4885OPRD1 2887/4885OPRK1 3040/4885

“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.