SCHEMBL2933647

SCHEMBL2933647

CC(C)CCNC(=O)[C@@H](NC(=O)c1nccc2ccccc12)[C@@H](C)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.49
RAB9A P51151 2/20 0.49
CNR2 P34972 2/20 0.40
LAP3 P28838 2/20 0.39
ANPEP P15144 1/20 0.39
RNPEP Q9H4A4 1/20 0.39
DNPEP Q9ULA0 1/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39

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
SCHEMBL15660540 0.86 RAB9A (0.47) CCR1RAB9ACNR2KDM4EALDH1A1
SCHEMBL15661683 0.86 RAB9A (0.47) CCR1RAB9ACNR2KDM4EALDH1A1
SCHEMBL15657797 0.86 RAB9A (0.47) CCR1RAB9ACNR2KDM4EALDH1A1
SCHEMBL15657659 0.86 RAB9A (0.47) CCR1RAB9ACNR2KDM4EALDH1A1
SCHEMBL2933644 0.83 CCR1 (0.49) CCR1RAB9ACNR2KMT2AMEN1
SCHEMBL2927792 0.81 PSMB5 (0.57) CCR1HDAC3HDAC1HDAC2HDAC8
SCHEMBL8256575 0.81 PSMB5 (0.57) CCR1HDAC3HDAC1HDAC2HDAC8
SCHEMBL2934926 0.78 EPHX2 (0.51) LAP3ANPEPRNPEPDNPEPKDM4E
SCHEMBL607371 0.78 NCEH1 (0.42) RAB9ALAP3ANPEPRNPEPDNPEP
SCHEMBL2933217 0.78 RAB9A (0.44) CCR1RAB9ACNR2KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8283367-B2 Proteasome inhibitors and methods of using the same CEPHALON, INC. (US) 2012-10-09 US claimed
EP-1846424-B1 PROTEASOME INHIBITORS AND METHODS OF USING THE SAME CEPHALON INC (US) 2010-01-27 EP claimed
US-7468383-B2 Proteasome inhibitors and methods of using the same CEPHALON, INC. (US) 2008-12-23 US claimed
US-20060189806-A1 Proteasome inhibitors and methods of using the same CEPHALON, INC. (US) 2006-08-24 US claimed
US-8283367-B2 Proteasome inhibitors and methods of using the same CEPHALON, INC. (US) 2012-10-09 US disclosed
EP-1846424-B1 PROTEASOME INHIBITORS AND METHODS OF USING THE SAME CEPHALON INC (US) 2010-01-27 EP 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-20060189806-A1 Proteasome inhibitors and methods of using the same PSMB11, PSMB5, PSMB6 CCR1 4609/4885RAB9A 3665/4885CNR2 4830/4885

“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.