SCHEMBL4205957

SCHEMBL4205957

CCN(C(=O)CNc1c(C)c(C)c(N)c(C)c1C)C1CCN(C[C@@H]2C[C@H]2c2ccccc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CCR5 P51681 14/20 0.45
▸ DRD2 P14416 5/20 0.38
▸ DRD4 P21917 3/20 0.38
▸ SLC6A2 P23975 1/20 0.37
▸ SLC6A4 P31645 1/20 0.37
▸ SLC6A3 Q01959 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
SCHEMBL4205958 1.00 CCR5 (0.45) CCR5DRD2DRD4SLC6A2SLC6A4
SCHEMBL4210750 0.81 OPRM1 (0.56) DRD2DRD4SLC6A3
SCHEMBL4210755 0.79 MEN1 (0.36) CCR5
SCHEMBL13928756 0.79 CCR5 (0.37) CCR5SLC6A2SLC6A4
SCHEMBL4213354 0.79 MCHR1 (0.45) —
SCHEMBL4213350 0.79 MCHR1 (0.45) —
SCHEMBL5217019 0.75 POLB (0.43) CCR5DRD2DRD4SLC6A2SLC6A4
SCHEMBL5217015 0.75 POLB (0.43) CCR5DRD2DRD4SLC6A2SLC6A4
SCHEMBL4218094 0.73 DRD2 (0.41) CCR5DRD2DRD4SLC6A2SLC6A4
SCHEMBL4218093 0.73 DRD2 (0.41) CCR5DRD2DRD4SLC6A2SLC6A4

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 CCR5 3820/4885DRD2 679/4885DRD4 1044/4885
US-20040063748-A1 Aminophenoxyacetic acid derivatives and pharmaceutical composition containing thereof FABP7, SLC1A2, CAMK2A CCR5 3433/4885DRD2 565/4885DRD4 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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