SCHEMBL4890154

SCHEMBL4890154

CC(C)CN(CCCN(Cc1ccccc1)Cc1ccc(C(=O)NN(CC(C)C)c2ccccc2)cc1)CC(C)C

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.46
BCHE P06276 1/20 0.44
HDAC1 Q13547 6/20 0.43
HDAC6 Q9UBN7 4/20 0.43
PTPN1 P18031 2/20 0.43
HDAC8 Q9BY41 3/20 0.41
RORC P51449 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HDAC3 O15379 2/20 0.41
HDAC2 Q92769 2/20 0.41
NCOR2 Q9Y618 2/20 0.41
TMEM97 Q5BJF2 2/20 0.40
SIGMAR1 Q99720 2/20 0.40
KDM4E B2RXH2 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL4893297 0.84 KDM4E (0.51) OPRK1BCHEHDAC1HDAC6HDAC8
SCHEMBL4892318 0.78 HDAC1 (0.38) OPRK1BCHEHDAC1HDAC6HDAC8
SCHEMBL14005308 0.78 HDAC1 (0.44) OPRK1HDAC1HDAC6HDAC8SMN1; SMN2
SCHEMBL4888123 0.76 KMT2A (0.39) HDAC1HDAC6SMN1; SMN2KDM4E
SCHEMBL14005311 0.74 CXCR4 (0.51) OPRK1HDAC1HDAC6SMN1; SMN2
SCHEMBL14030731 0.73 CXCR4 (0.39) OPRK1HDAC1HDAC6KDM4E
SCHEMBL4892312 0.73 CXCR4 (0.45) OPRK1HDAC1HDAC6HDAC8SMN1; SMN2
SCHEMBL14005295 0.70 HDAC1 (0.46) OPRK1HDAC1HDAC6HDAC8SMN1; SMN2
SCHEMBL9640535 0.69 TSHR (0.51) BCHEHDAC1HDAC8RORCHDAC3
SCHEMBL4744997 0.68 ACHE (0.51) OPRK1BCHEHDAC1HDAC6HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080293711-A1 Chemokine receptor modulators METASTATIX, INC. 2008-11-27 US disclosed
US-20080293711-A1 Chemokine receptor modulators METASTATIX, INC. 2008-11-27 US disclosed
US-20080293711-A1 Chemokine receptor modulators METASTATIX, INC. 2008-11-27 US disclosed
WO-2008112156-A1 CHEMOKINE RECEPTOR MODULATORS ALTIRIS THERAPEUTICS (US) 2008-09-18 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 (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-20080293711-A1 Chemokine receptor modulators CCR5, CCL2, CXCR4 OPRK1 130/4885BCHE 4575/4885HDAC1 803/4885

“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.