SCHEMBL4212200

SCHEMBL4212200

Cc1cc(OCC(=O)N(C)C2CCN(CC(=O)Nc3ccccc3)CC2)c(C)c(C)c1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNA5 P22460 2/20 0.46
▸ POLB P06746 2/20 0.45
▸ DRD4 P21917 4/20 0.43
▸ DRD2 P14416 2/20 0.43
▸ DRD3 P35462 2/20 0.43
▸ LTA4H P09960 2/20 0.43
▸ GSK3B P49841 1/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.42
▸ HTT P42858 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ PDE4A P27815 1/20 0.41
▸ PDE4B Q07343 1/20 0.41
▸ PDE4C Q08493 1/20 0.41
▸ PDE4D Q08499 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41

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
SCHEMBL13928729 0.90 SMN1; SMN2 (0.46) POLBSMN1; SMN2NPSR1MEN1KMT2A
SCHEMBL4210693 0.90 KCNA5 (0.44) KCNA5POLBDRD4DRD2DRD3
SCHEMBL4205168 0.90 ALDH1A1 (0.45) POLBDRD4DRD3NPSR1MEN1
SCHEMBL5215884 0.89 LTA4H (0.45) KCNA5POLBDRD4DRD2DRD3
SCHEMBL4212892 0.88 ALDH1A1 (0.39) POLBDRD4SMN1; SMN2NPSR1MEN1
SCHEMBL4205213 0.87 POLB (0.40) POLBDRD4SMN1; SMN2NPSR1HTT
SCHEMBL4218431 0.86 POLB (0.47) POLBSMN1; SMN2NPSR1MEN1KMT2A
SCHEMBL13928735 0.86 POLB (0.42) POLBSMN1; SMN2NPSR1MEN1KMT2A
SCHEMBL4358102 0.86 DRD4 (0.49) POLBDRD4DRD3SMN1; SMN2NPSR1
SCHEMBL4208778 0.86 POLB (0.46) POLBDRD4SMN1; SMN2NPSR1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7488738-B2 Aminophenoxyacetic acid derivatives and pharmaceutical composition containing thereof ASUBIO PHARMA CO., LTD. (JP) 2009-02-10 — — US disclosed
US-7488738-B2 Aminophenoxyacetic acid derivatives and pharmaceutical composition containing thereof ASUBIO PHARMA CO., LTD. (JP) 2009-02-10 — — US disclosed
US-7488738-B2 Aminophenoxyacetic acid derivatives and pharmaceutical composition containing thereof ASUBIO PHARMA CO., LTD. (JP) 2009-02-10 — — US disclosed
US-6998401-B2 Aminophenoxyacetic acid derivatives and pharmaceutical composition containing thereof SUNTORY LIMITED (JP) 2006-02-14 — — US disclosed
US-20050245574-A1 Aminophenoxyacetic acid derivatives and pharmaceutical composition containing thereof DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2005-11-03 — — US disclosed
EP-1045693-B1 AMINOPHENOXYACETIC ACID DERIVATIVES AS NEUROPROTECTANTS DAIICHI SUNTORY PHARMA CO LTD (JP) 2004-06-30 — — EP disclosed
US-20040063748-A1 Aminophenoxyacetic acid derivatives and pharmaceutical composition containing thereof ASUBIO PHARMA CO., LTD. (JP) 2004-04-01 — — US disclosed
US-6559146-B1 Neuroprotective effects by inducing calbindin D28Kd, one of Ca2+-binding proteins SUNTORY LIMITED (JP) 2003-05-06 — — 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 (2 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-20050245574-A1 Aminophenoxyacetic acid derivatives and pharmaceutical composition containing thereof CAMK2A, CAMK2B, SLC1A2 KCNA5 284/4885POLB 4031/4885DRD4 1044/4885
US-20040063748-A1 Aminophenoxyacetic acid derivatives and pharmaceutical composition containing thereof FABP7, SLC1A2, CAMK2A KCNA5 550/4885POLB 4059/4885DRD4 967/4885

“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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