SCHEMBL4211853

SCHEMBL4211853

Cc1cc(OCC(=O)NC2CCN(CC(=O)Nc3ccccc3)CC2)c(C)c(C)c1N

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ CYP2C19 P33261 2/20 0.54
▸ POLB P06746 1/20 0.54
▸ CYP3A4 P08684 1/20 0.54
▸ CYP2C9 P11712 1/20 0.54
▸ MCHR1 Q99705 1/20 0.52
▸ KCNA5 P22460 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.47
▸ ACKR3 P25106 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ MAPK10 P53779 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46

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
SCHEMBL13928754 0.85 SMN1; SMN2 (0.52) SMN1; SMN2CYP2C19POLBCYP3A4CYP2C9
SCHEMBL4214394 0.85 MCHR1 (0.48) SMN1; SMN2CYP2C19POLBCYP3A4CYP2C9
SCHEMBL4212200 0.85 KCNA5 (0.46) SMN1; SMN2CYP2C19POLBCYP3A4CYP2C9
SCHEMBL4211865 0.85 MCHR1 (0.49) SMN1; SMN2CYP2C19POLBCYP3A4CYP2C9
SCHEMBL5882267 0.85 MCHR1 (0.49) SMN1; SMN2CYP2C19POLBCYP3A4CYP2C9
SCHEMBL13928752 0.85 SMN1; SMN2 (0.51) SMN1; SMN2CYP2C19POLBCYP3A4CYP2C9
SCHEMBL4207025 0.84 SMN1; SMN2 (0.50) SMN1; SMN2CYP2C19POLBCYP3A4CYP2C9
SCHEMBL4206036 0.84 SIGMAR1 (0.57) SMN1; SMN2POLBMCHR1ACKR3MEN1
SCHEMBL4210693 0.83 KCNA5 (0.44) SMN1; SMN2CYP2C19POLBCYP3A4CYP2C9
SCHEMBL4207879 0.82 MCHR1 (0.53) MCHR1ACKR3ALDH1A1MEN1KMT2A

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 SMN1; SMN2 3233/4885CYP2C19 962/4885POLB 4031/4885
US-20040063748-A1 Aminophenoxyacetic acid derivatives and pharmaceutical composition containing thereof FABP7, SLC1A2, CAMK2A SMN1; SMN2 3022/4885CYP2C19 1729/4885POLB 4059/4885

“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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