SCHEMBL4893797

SCHEMBL4893797

CC(C)CN(CCCCNCc1ccc(C(=O)NN(Cc2ncc[nH]2)c2ccccc2)cc1)CC(C)C

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 2/20 0.55
TAAR1 Q96RJ0 4/20 0.39
OPRK1 P41145 1/20 0.37
CYP2D6 P10635 1/20 0.36
TSHR P16473 1/20 0.36
HDAC1 Q13547 5/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
LMNA P02545 1/20 0.35
GLA P06280 1/20 0.35
BLM P54132 1/20 0.35
PMP22 Q01453 1/20 0.35
ALDH1A1 P00352 2/20 0.35
GAA P10253 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
HTT P42858 1/20 0.34
SLC2A1 P11166 1/20 0.34

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
SCHEMBL14005311 0.97 CXCR4 (0.51) CXCR4TAAR1OPRK1CYP2D6TSHR
SCHEMBL4892312 0.89 CXCR4 (0.45) CXCR4TAAR1OPRK1HDAC1SMN1; SMN2
SCHEMBL14005308 0.85 HDAC1 (0.44) CXCR4TAAR1OPRK1CYP2D6TSHR
SCHEMBL14030731 0.85 CXCR4 (0.39) CXCR4TAAR1OPRK1CYP2D6TSHR
SCHEMBL4892318 0.79 HDAC1 (0.38) CXCR4TAAR1OPRK1HDAC1SMN1; SMN2
SCHEMBL1206171 0.77 CXCR4 (0.49) CXCR4OPRK1SMN1; SMN2ALDH1A1
SCHEMBL4890220 0.75 CXCR4 (0.42) CXCR4TAAR1OPRK1CYP2D6TSHR
SCHEMBL14005298 0.73 PTGS2 (0.44) OPRK1HDAC1SMN1; SMN2ALDH1A1GAA
SCHEMBL4890154 0.73 OPRK1 (0.46) OPRK1HDAC1SMN1; SMN2HDAC6
SCHEMBL1793193 0.71 CXCR4 (1.00) CXCR4

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 3 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
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 CXCR4 3/4885TAAR1 1220/4885OPRK1 130/4885

“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.