SCHEMBL4428996

SCHEMBL4428996

CCOC[C@@H]1CCCN(CC2CCCCC2NC(=O)c2ccc(-n3cccc3)cc2)C1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CCR3 P51677 18/20 0.44
▸ MAPT P10636 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ CYP2D6 P10635 1/20 0.42
▸ DRD2 P14416 1/20 0.42
▸ SLC6A2 P23975 1/20 0.42
▸ HTR2A P28223 1/20 0.42
▸ SLC6A4 P31645 1/20 0.42
▸ SLC6A3 Q01959 1/20 0.42
▸ KCNH2 Q12809 1/20 0.42
▸ F10 P00742 1/20 0.40

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
SCHEMBL5664036 1.00 CCR3 (0.44) CCR3MAPTRAB9ACYP2D6DRD2
SCHEMBL4428998 1.00 CCR3 (0.44) CCR3MAPTRAB9ACYP2D6DRD2
SCHEMBL4426694 0.89 HTT (0.43) CCR3CYP2D6DRD2SLC6A2HTR2A
SCHEMBL14368998 0.89 HTT (0.43) CCR3CYP2D6DRD2SLC6A2HTR2A
SCHEMBL5659781 0.89 CCR3 (0.52) CCR3CYP2D6DRD2SLC6A2HTR2A
SCHEMBL14392548 0.89 CCR3 (0.52) CCR3CYP2D6DRD2SLC6A2HTR2A
SCHEMBL4428303 0.87 CCR3 (0.46) CCR3CYP2D6DRD2SLC6A2HTR2A
SCHEMBL14392359 0.86 CCR3 (0.48) CCR3CYP2D6DRD2SLC6A2HTR2A
SCHEMBL14369133 0.86 CCR3 (0.48) CCR3CYP2D6DRD2SLC6A2HTR2A
SCHEMBL4431718 0.86 CCR3 (0.48) CCR3CYP2D6DRD2SLC6A2HTR2A

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
CN-101484442-A Compounds that are agonists of muscarinic receptors and tha may be effective in treating pain, alzheimer's disease and/or schizophrenia ASTRAZENECA AB (SE) 2009-07-15 — — CN disclosed
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
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 247/4885MAPT 2686/4885RAB9A 913/4885

“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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