SCHEMBL9884885

SCHEMBL9884885

NCCN(CCN)CCNc1nccc(N2CCCCCC2)n1

nearest known ligand 0.76

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 2/20 0.76
HRH4 Q9H3N8 12/20 0.47
HRH3 Q9Y5N1 5/20 0.46
OGA O60502 5/20 0.44
ADRA2B P18089 1/20 0.44
ADRA2C P18825 1/20 0.44
SLC6A2 P23975 1/20 0.44
HRH2 P25021 1/20 0.44
HTR1D P28221 1/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
HTR7 P34969 1/20 0.44
HTR2B P41595 1/20 0.44
HTR5A P47898 1/20 0.44
HTR6 P50406 1/20 0.44
SLC6A3 Q01959 1/20 0.44
TMEM97 Q5BJF2 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
MRGPRX1 Q96LB2 1/20 0.42

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
SCHEMBL9884886 1.00 CXCR4 (0.76) CXCR4HRH4HRH3OGAADRA2B
SCHEMBL1090046 0.86 CXCR4 (1.00) CXCR4HRH4HRH3OGAADRA2B
SCHEMBL1089904 0.86 CXCR4 (1.00) CXCR4HRH4HRH3OGAADRA2B
Hydrochloric Acid SCHEMBL1089921 0.85 CXCR4 (0.97) CXCR4HRH4HRH3OGAADRA2B
SCHEMBL1090470 0.85 CXCR4 (0.97) CXCR4HRH4HRH3OGAADRA2B
SCHEMBL9884624 0.83 CXCR4 (0.58) CXCR4HRH4HRH3OGAADRA2B
SCHEMBL9884619 0.83 CXCR4 (0.58) CXCR4HRH4HRH3OGAADRA2B
SCHEMBL9884884 0.83 CXCR4 (0.58) CXCR4HRH4HRH3OGAADRA2B
SCHEMBL9884626 0.83 CXCR4 (0.58) CXCR4HRH4HRH3OGAADRA2B
SCHEMBL1089965 0.83 CXCR4 (0.68) CXCR4HRH4HRH3OGAADRA2B

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-1890703-B1 PYRIMIDINE COMPOUNDS AS CHEMOKINE RECEPTORS INHIBITORS TAIGEN BIOTECHNOLOGY CO LTD (TW) 2016-05-11 EP disclosed
US-8193206-B2 Pyrimidine compounds TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2012-06-05 US disclosed
US-8193206-B2 Pyrimidine compounds TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2012-06-05 US disclosed
US-7589197-B2 Pyrimidine compounds TAIGEN BIOTECHNOLOGY (TW) 2009-09-15 US disclosed
US-7589197-B2 Pyrimidine compounds TAIGEN BIOTECHNOLOGY (TW) 2009-09-15 US disclosed
US-20090143302-A1 PYRIMIDINE COMPOUNDS TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2009-06-04 US disclosed
US-20090143302-A1 PYRIMIDINE COMPOUNDS TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2009-06-04 US 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-20090143302-A1 PYRIMIDINE COMPOUNDS TYMS, TYMP, HPRT1 CXCR4 247/4885HRH4 1860/4885HRH3 1540/4885

“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.