SCHEMBL4210693

SCHEMBL4210693

CCN(C(=O)COc1cc(C)c(N)c(C)c1C)C1CCN(CC(=O)Nc2ccccc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNA5 P22460 1/20 0.44
▸ DRD4 P21917 4/20 0.42
▸ DRD2 P14416 2/20 0.42
▸ DRD3 P35462 2/20 0.42
▸ CCR5 P51681 1/20 0.42
▸ GSK3B P49841 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ HTT P42858 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ POLB P06746 2/20 0.40
▸ LTA4H P09960 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ LMNA P02545 3/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ MAPT P10636 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
SCHEMBL4212200 0.90 KCNA5 (0.46) KCNA5DRD4DRD2DRD3GSK3B
SCHEMBL4214963 0.86 CCR5 (0.42) KCNA5DRD4DRD2DRD3CCR5
SCHEMBL13928749 0.86 CCR5 (0.43) KCNA5DRD4DRD2DRD3CCR5
SCHEMBL4210696 0.85 CCR5 (0.38) CCR5
SCHEMBL4211853 0.83 SMN1; SMN2 (0.54) KCNA5SMN1; SMN2NPSR1MEN1KMT2A
SCHEMBL4214302 0.81 KMT2A (0.45) SMN1; SMN2MEN1KMT2ALMNAALDH1A1
SCHEMBL4214297 0.81 KMT2A (0.45) SMN1; SMN2MEN1KMT2ALMNAALDH1A1
SCHEMBL4215557 0.81 LMNA (0.46) DRD4DRD2DRD3SMN1; SMN2HTT
SCHEMBL13928729 0.80 SMN1; SMN2 (0.46) SMN1; SMN2NPSR1MEN1KMT2APOLB
SCHEMBL4205168 0.79 ALDH1A1 (0.45) DRD4DRD3NPSR1MEN1KMT2A

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 284/4885DRD4 1044/4885DRD2 679/4885
US-20040063748-A1 Aminophenoxyacetic acid derivatives and pharmaceutical composition containing thereof FABP7, SLC1A2, CAMK2A KCNA5 550/4885DRD4 967/4885DRD2 565/4885

“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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