SCHEMBL4566460

SCHEMBL4566460

C=CCOC[C@@H]1CCCN(C[C@@H]2CCCC[C@H]2NC(=O)c2ccc(-n3ccnc3)nc2)C1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ CYP2D6 P10635 2/20 0.38
▸ CYP2C9 P11712 2/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ CCR3 P51677 12/20 0.38
▸ EGLN1 Q9GZT9 3/20 0.36
▸ CHRM1 P11229 1/20 0.36
▸ GAA P10253 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
SCHEMBL4427374 1.00 CYP1A2 (0.38) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL14392528 1.00 CYP1A2 (0.38) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL4553271 1.00 CYP1A2 (0.38) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL14368949 1.00 CYP1A2 (0.38) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL4427379 1.00 CYP1A2 (0.38) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL5661318 1.00 CYP1A2 (0.38) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL4432632 1.00 CYP1A2 (0.38) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL14368995 0.90 CCR3 (0.40) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL14368936 0.88 HPGDS (0.43) KMT2ACCR3EGLN1
SCHEMBL4553255 0.87 CCR3 (0.44) CYP1A2CYP2D6CYP2C19KMT2ACCR3

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
US-20070259888-A1 Novel Compounds ASTRAZENECA AB (SE) 2007-11-08 — — US claimed
EP-2024359-A1 COMPOUNDS THAT ARE AGONISTS OF MUSCARINIC RECEPTORS AND THAT MAY BE EFFECTIVE IN TREATING PAIN, ALZHEIMER'S DECEASE AND/OR SCHIZOPHRENIA AstraZeneca AB (SE) 2009-02-18 — — EP disclosed
WO-2007126362-A1 COMPOUNDS THAT ARE AGONISTS OF MUSCARINIC RECEPTORS AND THAT MAY BE EFFECTIVE IN TREATING PAIN, ALZHEIMER'S DISEASE AND/OR SCHIZOPHRENIA ASTRAZENECA AB (SE) 2007-11-08 — — WO disclosed
WO-2007126362-A1 COMPOUNDS THAT ARE AGONISTS OF MUSCARINIC RECEPTORS AND THAT MAY BE EFFECTIVE IN TREATING PAIN, ALZHEIMER'S DISEASE AND/OR SCHIZOPHRENIA ASTRAZENECA AB (SE) 2007-11-08 — — WO 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
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 CYP1A2 285/4885CYP3A4 292/4885CYP2D6 86/4885

“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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