SCHEMBL5217884

SCHEMBL5217884

Cc1c(C)c(NCC(=O)N(C)C2CCN(c3ccc(F)cc3)CC2)c(C)c(C)c1N

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NPY5R Q15761 12/20 0.47
▸ CHRM4 P08173 1/20 0.38
▸ CCR5 P51681 1/20 0.38
▸ NOTUM Q6P988 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ ALOX12 P18054 1/20 0.36
▸ GFER P55789 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ CA12 O43570 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA9 Q16790 1/20 0.36

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
SCHEMBL5212865 0.90 NPY5R (0.43) NPY5RCHRM4CCR5ALDH1A1KDM4E
SCHEMBL5216889 0.88 NPY5R (0.44) NPY5RCHRM4CCR5KDM4E
SCHEMBL5214076 0.81 NPY5R (0.40) NPY5RCHRM4CCR5ALDH1A1KDM4E
SCHEMBL4207412 0.80 NPY5R (0.39) NPY5RCCR5ALDH1A1KDM4E
SCHEMBL4210641 0.78 CCR5 (0.36) CCR5ALDH1A1KDM4EGAA
SCHEMBL4209657 0.77 KCNH2 (0.53) CCR5
SCHEMBL4202240 0.77 CCR5 (0.37) CCR5
SCHEMBL5882245 0.77 CCR5 (0.33) CCR5ALDH1A1
SCHEMBL5212791 0.76 SMN1; SMN2 (0.44) NPY5RALDH1A1SMN1; SMN2
SCHEMBL4207304 0.76 KCNH2 (0.45) CCR5ALDH1A1KDM4E

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 4 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-7067533-B2 Aminophenoxyacetamide derivatives and pharmaceutical composition containing thereof DAIICHI ASUBIO PHARMA CO., LTD. (JP) 2006-06-27 — — 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 NPY5R 582/4885CHRM4 737/4885CCR5 3787/4885
US-20060178401-A1 Aminophenoxyacetamide derivatives and pharmaceutical composition containing thereof NR0B1, NR0B2, NR4A1 NPY5R 321/4885CHRM4 18/4885CCR5 2502/4885

“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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