SCHEMBL4215524

SCHEMBL4215524

Cc1c(C)c(NCC(=O)N(C)C2CCN(CC(=O)Nc3ccccc3)CC2)c(C)c(C)c1N

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.45
▸ RECQL P46063 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ DRD4 P21917 2/20 0.45
▸ DRD2 P14416 1/20 0.45
▸ DRD3 P35462 1/20 0.45
▸ LTA4H P09960 2/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ ALDH1A1 P00352 6/20 0.43
▸ LMNA P02545 3/20 0.43
▸ KDM4E B2RXH2 3/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ RAB9A P51151 1/20 0.42

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
SCHEMBL13928769 0.86 CCR5 (0.41) ALDH1A1
SCHEMBL4213340 0.85 HTT (0.44) HTTRECQLNPSR1DRD4DRD2
SCHEMBL4209657 0.84 KCNH2 (0.53) DRD2MEN1KMT2A
SCHEMBL5215884 0.84 LTA4H (0.45) HTTRECQLNPSR1DRD4DRD2
SCHEMBL4215525 0.83 CCR5 (0.41) —
SCHEMBL4207407 0.82 OPRM1 (0.50) DRD4DRD2DRD3
SCHEMBL13928748 0.81 CCR5 (0.38) DRD2
SCHEMBL4210046 0.81 CCR5 (0.46) ALDH1A1KDM4EMEN1KMT2A
SCHEMBL4205766 0.80 CCR5 (0.44) —
SCHEMBL4212200 0.79 KCNA5 (0.46) HTTRECQLNPSR1DRD4DRD2

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 HTT 2351/4885RECQL 2498/4885NPSR1 599/4885
US-20040063748-A1 Aminophenoxyacetic acid derivatives and pharmaceutical composition containing thereof FABP7, SLC1A2, CAMK2A HTT 2449/4885RECQL 3181/4885NPSR1 664/4885

“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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