SCHEMBL5654850

SCHEMBL5654850

O=C(NCCN1CCC(Oc2ccc(F)c(F)c2)CC1)c1ccc(-n2cccn2)nc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.52
CXCR4 P61073 1/20 0.50
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
CCR3 P51677 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
NPC1 O15118 1/20 0.45
HRH3 Q9Y5N1 5/20 0.45
KDM4E B2RXH2 2/20 0.44
HPGD P15428 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
PLD2 O14939 1/20 0.43
PLD1 Q13393 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
SCHEMBL5657637 0.89 CCR3 (0.60) RAB9ACXCR4CYP1A2CYP2C19CCR3
SCHEMBL5656854 0.87 CCR3 (0.53) RAB9ACXCR4CYP1A2CYP2C19CCR3
SCHEMBL5655951 0.83 CXCR4 (0.48) RAB9ACXCR4CYP1A2CYP2C19CCR3
SCHEMBL5102691 0.74 HRH3 (0.50) RAB9ACCR3MEN1KMT2AHRH3
SCHEMBL5654782 0.74 CCR3 (0.59) RAB9ACCR3MEN1KMT2ANPC1
SCHEMBL5657759 0.74 HRH3 (0.53) RAB9ACCR3MEN1KMT2ANPC1
Hydrochloric Acid SCHEMBL5658393 0.72 CCR3 (0.57) RAB9ACCR3MEN1KMT2ANPC1
SCHEMBL5098799 0.72 CCR3 (0.48) CCR3HRH3PLD2PLD1
SCHEMBL5658287 0.72 CCR3 (0.56) CCR3KMT2AHRH3PLD2PLD1
SCHEMBL5655801 0.71 GPR6 (0.49) RAB9ACCR3MEN1KMT2AHRH3

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 2 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

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 RAB9A 1454/4885CXCR4 22/4885CYP1A2 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.