SCHEMBL14368995

SCHEMBL14368995

CCOCC1CCCN(C[C@@H]2CCCC[C@H]2NC(=O)c2ccc(-n3ccnc3)nc2)C1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CCR3 P51677 13/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ CYP2D6 P10635 2/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ EGLN1 Q9GZT9 3/20 0.39
▸ GAA P10253 1/20 0.39
▸ CHRM1 P11229 1/20 0.37

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
SCHEMBL4553271 0.90 CYP1A2 (0.38) CCR3CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL14368949 0.90 CYP1A2 (0.38) CCR3CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5661318 0.90 CYP1A2 (0.38) CCR3CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL14392528 0.90 CYP1A2 (0.38) CCR3CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4427374 0.90 CYP1A2 (0.38) CCR3CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4427379 0.90 CYP1A2 (0.38) CCR3CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4432632 0.90 CYP1A2 (0.38) CCR3CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4566460 0.90 CYP1A2 (0.38) CCR3CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4553338 0.90 CYP2D6 (0.41) CCR3CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL14369011 0.90 CYP2D6 (0.41) CCR3CYP1A2CYP3A4CYP2D6CYP2C9

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-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 CCR3 247/4885CYP1A2 285/4885CYP3A4 292/4885

“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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