SCHEMBL2930877

SCHEMBL2930877

CC(C)CCNC(=O)[C@@H](NC(=O)c1cnc2ccccc2c1)[C@@H](C)O

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 6/20 0.54
DRD2 P14416 5/20 0.45
DRD3 P35462 5/20 0.45
HTR1A P08908 2/20 0.45
HTR2A P28223 2/20 0.45
HTR2C P28335 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
KMT2A Q03164 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
HDAC3 O15379 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
HPGDS O60760 1/20 0.43
MGAM O43451 1/20 0.43

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
SCHEMBL607814 0.83 ELANE (0.47) CCR1HDAC3HDAC1HDAC2
SCHEMBL2926222 0.83 GRN (0.56) CCR1
SCHEMBL2930873 0.82 CCR1 (0.53) CCR1MEN1KMT2AHPGDSMGAM
SCHEMBL2934879 0.81 CCR1 (0.57) CCR1HDAC3HDAC1HDAC2
SCHEMBL2925992 0.81 HDAC3 (0.42) DRD2DRD3HTR1AHTR2AHTR2C
SCHEMBL2933907 0.79 NPC1 (0.47) CCR1DRD2DRD3HTR1AHTR2A
SCHEMBL2926119 0.79 ALDH1A1 (0.50) CCR1MEN1ALDH1A1KMT2AHDAC1
SCHEMBL2930312 0.79 NPC1 (0.50)
SCHEMBL2933261 0.77 EPHX2 (0.51) MEN1ALDH1A1KMT2AHDAC3HDAC1
SCHEMBL12043740 0.76 HPGDS (0.67) CCR1KDM4EMEN1KMT2AHPGDS

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 4609/4885DRD2 4781/4885DRD3 4620/4885

“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.