SCHEMBL4205213

SCHEMBL4205213

Cc1cc(OCC(=O)N(C)C2CCN(CC(=O)Nc3ccccc3C(C)(C)C)CC2)c(C)c(C)c1N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.40
▸ CYP2D6 P10635 3/20 0.39
▸ CYP2C19 P33261 3/20 0.39
▸ ALDH1A1 P00352 4/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ UBE2N P61088 1/20 0.38
▸ TDP1 Q9NUW8 2/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ DRD4 P21917 2/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ LMNA P02545 2/20 0.37
▸ CYP2C9 P11712 2/20 0.37
▸ HTT P42858 2/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.37
▸ USP2 O75604 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ RECQL P46063 1/20 0.37
▸ TSHR P16473 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
SCHEMBL13928729 0.91 SMN1; SMN2 (0.46) POLBCYP2D6CYP2C19ALDH1A1KMT2A
SCHEMBL4212200 0.87 KCNA5 (0.46) POLBCYP2C19ALDH1A1KMT2AMEN1
SCHEMBL13928737 0.87 RAB9A (0.39) POLBCYP2D6CYP2C19ALDH1A1KMT2A
SCHEMBL4358102 0.86 DRD4 (0.49) POLBCYP2D6CYP2C19ALDH1A1MAPK1
SCHEMBL4205168 0.85 ALDH1A1 (0.45) POLBCYP2D6ALDH1A1KMT2AMEN1
SCHEMBL4212892 0.84 ALDH1A1 (0.39) POLBALDH1A1KMT2AMEN1DRD4
SCHEMBL4212566 0.84 RAD52 (0.38) POLBCYP2D6CYP2C19ALDH1A1KMT2A
SCHEMBL4202948 0.82 MEN1 (0.38) POLBALDH1A1KMT2AMEN1DRD4
SCHEMBL13928735 0.81 POLB (0.42) POLBCYP2C19ALDH1A1KMT2AMEN1
SCHEMBL4218431 0.81 POLB (0.47) POLBALDH1A1KMT2AMEN1SMN1; SMN2

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 6 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-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 POLB 4031/4885CYP2D6 746/4885CYP2C19 962/4885
US-20040063748-A1 Aminophenoxyacetic acid derivatives and pharmaceutical composition containing thereof FABP7, SLC1A2, CAMK2A POLB 4059/4885CYP2D6 1084/4885CYP2C19 1729/4885

“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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