SCHEMBL4210641

SCHEMBL4210641

Cc1c(C)c(NCC(=O)N(C)C2CCN(CCN3CCOCC3)CC2)c(C)c(C)c1N

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CCR5 P51681 12/20 0.36
▸ KDM4E B2RXH2 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ DUSP3 P51452 1/20 0.35
▸ PTPN11 Q06124 1/20 0.35
▸ GSK3B P49841 1/20 0.35
▸ VNN1 O95497 1/20 0.35
▸ GAA P10253 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ CASP7 P55210 1/20 0.34
▸ CASP6 P55212 1/20 0.34

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
SCHEMBL4202240 0.89 CCR5 (0.37) CCR5
SCHEMBL4208066 0.87 CCR5 (0.38) CCR5
SCHEMBL5882245 0.84 CCR5 (0.33) CCR5ALDH1A1
SCHEMBL4207407 0.82 OPRM1 (0.50) CCR5
SCHEMBL5216147 0.80 PIK3CD (0.40) CCR5KDM4EALDH1A1VNN1GAA
SCHEMBL4209657 0.80 KCNH2 (0.53) CCR5
SCHEMBL4207304 0.78 KCNH2 (0.45) CCR5KDM4EALDH1A1
SCHEMBL13928769 0.78 CCR5 (0.41) CCR5ALDH1A1
SCHEMBL4205032 0.77 SLC6A4 (0.36) ALDH1A1
SCHEMBL4201843 0.77 KCNH2 (0.48) CCR5KDM4EALDH1A1GAA

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 CCR5 3820/4885KDM4E 1253/4885ALDH1A1 1522/4885
US-20040063748-A1 Aminophenoxyacetic acid derivatives and pharmaceutical composition containing thereof FABP7, SLC1A2, CAMK2A CCR5 3433/4885KDM4E 1506/4885ALDH1A1 1079/4885

“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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