SCHEMBL5655951

SCHEMBL5655951

O=C(NCCN1CCC(Oc2ccc(F)cc2Cl)CC1)c1ccc(-n2cccn2)nc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 1/20 0.48
RAB9A P51151 1/20 0.45
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 2/20 0.43
KDM4E B2RXH2 3/20 0.43
CYP2D6 P10635 1/20 0.43
HPGD P15428 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CCR3 P51677 1/20 0.42
PLD2 O14939 4/20 0.41
PLD1 Q13393 4/20 0.41
DRD2 P14416 1/20 0.41
SLC5A7 Q9GZV3 1/20 0.41

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
SCHEMBL5657637 0.85 CCR3 (0.60) CXCR4RAB9ACYP1A2CYP2C19KDM4E
SCHEMBL5654850 0.83 RAB9A (0.52) CXCR4RAB9ACYP1A2CYP2C19KDM4E
SCHEMBL5656854 0.83 CCR3 (0.53) CXCR4RAB9ACYP1A2CYP2C19KDM4E
SCHEMBL5658388 0.74 CCR3 (0.53) CCR3SLC5A7
SCHEMBL6403928 0.71 CCR3 (0.70) CCR3PLD2PLD1DRD2
SCHEMBL13876562 0.70 CXCR4 (0.52) CXCR4CYP1A2CYP2C19KDM4ECYP2D6
SCHEMBL12437948 0.70 SLC5A7 (0.56) CCR3PLD2PLD1SLC5A7
SCHEMBL12437947 0.69 SLC5A7 (0.56) CCR3PLD2PLD1SLC5A7
SCHEMBL6029384 0.69 CXCR4 (0.69) CXCR4CYP1A2CYP2C19KDM4ECYP2D6
SCHEMBL6029386 0.69 CXCR4 (0.69) CXCR4CYP1A2CYP2C19KDM4ECYP2D6

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-7304077-B2 Chemical compounds ASTRAZENECA AB (SE) 2007-12-04 US disclosed
US-20040102432-A1 Chemical compounds ASTRAZENECA AB (SE) 2004-05-27 US disclosed
EP-1322611-A1 CHEMICAL COMPOUNDS AstraZeneca AB (SE) 2003-07-02 EP disclosed
WO-2002020484-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2002-03-14 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-20040102432-A1 Chemical compounds CCL11, HRH1, HRH4 CXCR4 22/4885RAB9A 1454/4885CYP1A2 495/4885

“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.