SCHEMBL5217244

SCHEMBL5217244

Cc1c(C)c(OCC(=O)N(C)C2CCN(Cc3ccc(C#N)cc3)CC2)c(C)c(C)c1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR5 P51681 1/20 0.47
▸ MLNR O43193 1/20 0.44
▸ KCNH2 Q12809 4/20 0.43
▸ MAOA P21397 2/20 0.41
▸ MAOB P27338 2/20 0.41
▸ PRKAA2 P54646 2/20 0.41
▸ GPR119 Q8TDV5 3/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ MCHR1 Q99705 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL5216387 0.98 CCR5 (0.46) CCR5MLNRKCNH2MAOAMAOB
SCHEMBL5252348 0.87 KCNH2 (0.46) KCNH2GPR119ALDH1A1MCHR1DRD2
SCHEMBL13173233 0.85 CCR5 (0.46) CCR5MLNRKCNH2PRKAA2GPR119
Hydrochloric Acid SCHEMBL2845308 0.84 CCR5 (0.45) CCR5MLNRKCNH2MAOAMAOB
SCHEMBL13173152 0.83 CCR5 (0.47) CCR5MLNRKCNH2MAOAMAOB
SCHEMBL13478887 0.79 CCR5 (0.57) CCR5MLNRKCNH2PRKAA2GPR119
SCHEMBL5218015 0.78 BCHE (0.40) CCR5MAOBALDH1A1MCHR1MEN1
SCHEMBL5220369 0.78 OPRM1 (0.50) CCR5KCNH2MAOAMAOBDRD2
SCHEMBL5214392 0.78 POLB (0.39) CCR5ALDH1A1MCHR1MEN1KMT2A
SCHEMBL19658764 0.77 MEN1 (0.54) CCR5MLNRKCNH2PRKAA2GPR119

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 CCR5 3787/4885MLNR 3273/4885KCNH2 1383/4885
US-20060178401-A1 Aminophenoxyacetamide derivatives and pharmaceutical composition containing thereof NR0B1, NR0B2, NR4A1 CCR5 2502/4885MLNR 2159/4885KCNH2 1391/4885

“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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