SCHEMBL5742226

SCHEMBL5742226

COC(=O)c1ccccc1N1CCN(C)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.55
HDAC3 O15379 3/20 0.54
HDAC4 P56524 3/20 0.54
HDAC1 Q13547 3/20 0.54
HDAC7 Q8WUI4 3/20 0.54
HDAC2 Q92769 3/20 0.54
HDAC10 Q969S8 3/20 0.54
HDAC11 Q96DB2 3/20 0.54
HDAC8 Q9BY41 3/20 0.54
HDAC6 Q9UBN7 3/20 0.54
HDAC9 Q9UKV0 3/20 0.54
HDAC5 Q9UQL6 3/20 0.54
DRD2 P14416 1/20 0.54
DRD3 P35462 1/20 0.54
KMT2A Q03164 4/20 0.53
MEN1 O00255 3/20 0.53
USP2 O75604 2/20 0.53
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
PKM P14618 1/20 0.53

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
SCHEMBL23708768 0.87 NPC1 (0.60) MYCKMT2AMEN1USP2KDM4E
SCHEMBL29232403 0.86 MYC (0.54) MYCDRD2KMT2AMEN1KDM4E
SCHEMBL31186073 0.85 KMT2A (0.51) MYCHDAC3HDAC4HDAC1HDAC7
SCHEMBL28437453 0.84 HDAC3 (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7123951 0.83 DRD2 (0.55) MYCDRD2DRD3KMT2AMEN1
SCHEMBL112024 0.83 ADRB1 (0.55) MYCDRD2DRD3KMT2AMEN1
SCHEMBL7743758 0.83 GAA (0.59) MYCKMT2AMEN1KDM4EALDH1A1
SCHEMBL7715935 0.83 MYC (0.54) MYCKMT2AMEN1KDM4EALDH1A1
SCHEMBL1481846 0.81 HDAC3 (0.55) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL594621 0.81 L3MBTL1 (0.57) MYCHDAC3HDAC4HDAC1HDAC7

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
EP-1358183-B1 CYSTEINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2006-04-12 EP disclosed
US-20050070598-A1 Cysteine protease inhibitors MEDIVIR AB (SE) 2005-03-31 US disclosed
US-20040229915-A1 Cysteine protease inhibitors MEDIVIR AB (SE) 2004-11-18 US disclosed
EP-1358183-A2 CYSTEINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2003-11-05 EP disclosed
US-20030186962-A1 Cysteine protease inhibitors MEDIVIR AB (SE) 2003-10-02 US disclosed
US-6492363-B2 FOR THERAPY OF CANCER AND OTHER PROLIFERATIVE DISEASES SUCH AS INFLAMMATION, PSORIASIS AND RESTENOSIS, AS WELL AS STROKE, HEART FAILURE, AND IMMUNODEFICIENCY DISORDERS WARNER-LAMBERT COMPANY 2002-12-10 US disclosed
WO-2002088106-A2 CYSTEINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2002-11-07 WO 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-20030186962-A1 Cysteine protease inhibitors C1R, CTSS, CTSZ MYC 4306/4885HDAC3 188/4885HDAC4 741/4885
US-20050070598-A1 Cysteine protease inhibitors CTRL, CTSZ, CTSS MYC 3977/4885HDAC3 154/4885HDAC4 369/4885
US-20040229915-A1 Cysteine protease inhibitors C1R, CTRL, CTSK MYC 4450/4885HDAC3 382/4885HDAC4 940/4885

“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.