SCHEMBL5217137

SCHEMBL5217137

Cc1c(C)c(OC(C)C(=O)N(C)C2CCN(CC3CC3c3ccccc3)CC2)c(C)c(C)c1N

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CCR5 P51681 6/20 0.41
▸ SLC6A2 P23975 4/20 0.40
▸ SLC6A4 P31645 4/20 0.40
▸ SLC6A3 Q01959 4/20 0.40
▸ DRD2 P14416 9/20 0.38
▸ DRD4 P21917 7/20 0.38
▸ FFAR2 O15552 1/20 0.38

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
SCHEMBL5217130 1.00 CCR5 (0.41) CCR5SLC6A2SLC6A4SLC6A3DRD2
SCHEMBL4217091 0.91 DRD2 (0.40) CCR5SLC6A2SLC6A4SLC6A3DRD2
SCHEMBL5217019 0.84 POLB (0.43) CCR5SLC6A2SLC6A4SLC6A3DRD2
SCHEMBL5217015 0.84 POLB (0.43) CCR5SLC6A2SLC6A4SLC6A3DRD2
SCHEMBL5215512 0.82 CCR5 (0.37) CCR5FFAR2
SCHEMBL5215178 0.80 CCR5 (0.45) CCR5DRD4FFAR2
SCHEMBL5215997 0.76 CCR5 (0.40) CCR5
SCHEMBL5245515 0.76 CCR5 (0.40) CCR5FFAR2
SCHEMBL4207381 0.74 HPGD (0.45) SLC6A2SLC6A4SLC6A3DRD2DRD4
SCHEMBL4368100 0.72 OPRM1 (0.48) CCR5SLC6A3DRD2DRD4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1228367-B1 AMINOPHENOXYACETAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITION CONTAINING THEREOF ASUBIO PHARMA CO LTD (JP) 2007-09-26 — — EP disclosed
US-20060178401-A1 Aminophenoxyacetamide derivatives and pharmaceutical composition containing thereof DAIICHI ASUBIO PHARMA CO., LTD. 2006-08-10 — — US disclosed
US-20030139447-A1 Aminophenoxyacetamide derivatives and pharmaceutical composition containing thereof ASUBIO PHARMA CO., LTD. (JP) 2003-07-24 — — 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-20030139447-A1 Aminophenoxyacetamide derivatives and pharmaceutical composition containing thereof SCN10A, CAMK2A, CAMK2B CCR5 3787/4885SLC6A2 1131/4885SLC6A4 605/4885
US-20060178401-A1 Aminophenoxyacetamide derivatives and pharmaceutical composition containing thereof NR0B1, NR0B2, NR4A1 CCR5 2502/4885SLC6A2 658/4885SLC6A4 129/4885

“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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