SCHEMBL4565887

SCHEMBL4565887

CCCCC1CCCN(C[C@@H]2CCCC[C@H]2NC(=O)c2ccc(-n3ccnc3)nc2)C1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 3/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ CCR3 P51677 16/20 0.40
▸ GAA P10253 1/20 0.39
▸ CHRM1 P11229 1/20 0.37
▸ DRD2 P14416 1/20 0.37
▸ SLC6A2 P23975 1/20 0.37
▸ HTR2A P28223 1/20 0.37
▸ SLC6A4 P31645 1/20 0.37
▸ SLC6A3 Q01959 1/20 0.37
▸ KCNH2 Q12809 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
SCHEMBL4565886 1.00 CYP2D6 (0.40) CYP2D6CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL14368915 1.00 CYP2D6 (0.40) CYP2D6CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL14368871 0.98 CYP2D6 (0.40) CYP2D6CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL4553057 0.98 CYP2D6 (0.40) CYP2D6CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL5662523 0.98 CYP2D6 (0.40) CYP2D6CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL5661820 0.98 CYP2D6 (0.40) CYP2D6CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL4553058 0.98 CYP2D6 (0.40) CYP2D6CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL5663297 0.98 CYP2D6 (0.40) CYP2D6CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL14368862 0.98 CYP2D6 (0.40) CYP2D6CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL5661608 0.98 CYP2D6 (0.40) CYP2D6CYP1A2CYP3A4CYP2C9CYP2C19

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 CYP2D6 86/4885CYP1A2 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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