SCHEMBL5662103

SCHEMBL5662103

C=CCO[C@H]1CCCN(C[C@H]2CCCC[C@@H]2NC(=O)c2ccc(-n3cccn3)nc2)C1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 2/20 0.41
▸ CCR3 P51677 3/20 0.40
▸ KMT2A Q03164 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ KDM4E B2RXH2 5/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ CYP2D6 P10635 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ HPGD P15428 2/20 0.37
▸ CHRM1 P11229 1/20 0.37
▸ FAAH O00519 2/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL5662148 1.00 CXCR4 (0.41) CXCR4CCR3KMT2AMEN1CYP1A2
SCHEMBL14368927 0.92 KMT2A (0.40) CXCR4KMT2AMEN1CYP1A2CYP2C19
SCHEMBL5664853 0.90 CCR3 (0.44) CXCR4CCR3KMT2AMEN1CYP1A2
SCHEMBL4553257 0.90 CCR3 (0.44) CXCR4CCR3KMT2AMEN1CYP1A2
SCHEMBL4553255 0.90 CCR3 (0.44) CXCR4CCR3KMT2AMEN1CYP1A2
SCHEMBL14368833 0.90 CCR3 (0.44) CXCR4CCR3KMT2AMEN1CYP1A2
SCHEMBL14392673 0.90 CCR3 (0.44) CXCR4CCR3KMT2AMEN1CYP1A2
SCHEMBL5665641 0.89 CCR3 (0.41) CCR3CHRM1
SCHEMBL14369092 0.89 CCR3 (0.41) CCR3CHRM1
SCHEMBL14392536 0.89 CCR3 (0.41) CCR3CHRM1

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-20070259888-A1 Novel Compounds ASTRAZENECA AB (SE) 2007-11-08 — — US claimed
US-20070259888-A1 Novel Compounds ASTRAZENECA AB (SE) 2007-11-08 — — US disclosed
US-20070259888-A1 Novel Compounds ASTRAZENECA AB (SE) 2007-11-08 — — US disclosed
US-20070259888-A1 Novel Compounds ASTRAZENECA AB (SE) 2007-11-08 — — 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-20070259888-A1 Novel Compounds OPRL1, OPRM1, SIGMAR1 CXCR4 52/4885CCR3 247/4885KMT2A 3736/4885

“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.

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