SCHEMBL4211823

SCHEMBL4211823

Cc1c(C)c(NC(C)C(=O)N(C)C2CCN(CCc3ccccc3)CC2)c(C)c(C)c1N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 12/20 0.51
▸ CCR5 P51681 3/20 0.48
▸ OPRD1 P41143 5/20 0.46
▸ OPRK1 P41145 4/20 0.46
▸ ADRA1A P35348 2/20 0.46
▸ ADRA1B P35368 2/20 0.46
▸ SLC22A1 O15245 1/20 0.46
▸ NR1I2 O75469 1/20 0.46
▸ ABCB1 P08183 1/20 0.46
▸ CHRM1 P11229 1/20 0.46
▸ DRD2 P14416 1/20 0.46
▸ ADRA2B P18089 1/20 0.46
▸ ADRA2C P18825 1/20 0.46
▸ CHRM3 P20309 1/20 0.46
▸ MAOA P21397 1/20 0.46
▸ DRD4 P21917 1/20 0.46
▸ MAOB P27338 1/20 0.46
▸ HRH1 P35367 1/20 0.46
▸ DRD3 P35462 1/20 0.46
▸ CHRNA4 P43681 1/20 0.46

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
SCHEMBL4207407 0.82 OPRM1 (0.50) OPRM1CCR5OPRD1OPRK1ADRA1A
SCHEMBL4213338 0.81 CCR5 (0.37) CCR5
SCHEMBL7496079 0.80 OPRM1 (0.64) OPRM1CCR5OPRD1OPRK1ADRA1A
SCHEMBL5214186 0.80 MCHR1 (0.44) CCR5
SCHEMBL4368100 0.79 OPRM1 (0.48) OPRM1CCR5OPRD1OPRK1ADRA1A
SCHEMBL4212577 0.78 OPRM1 (0.53) OPRM1CCR5OPRD1OPRK1ADRA1A
SCHEMBL5214114 0.77 NPY5R (0.40) CCR5
SCHEMBL5220369 0.77 OPRM1 (0.50) OPRM1CCR5OPRD1OPRK1ADRA1A
SCHEMBL5216972 0.75 OPRM1 (0.47) OPRM1OPRD1OPRK1ADRA1AADRA1B
SCHEMBL4210750 0.75 OPRM1 (0.56) OPRM1OPRD1OPRK1ADRA1AADRA1B

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 OPRM1 955/4885CCR5 3820/4885OPRD1 169/4885
US-20040063748-A1 Aminophenoxyacetic acid derivatives and pharmaceutical composition containing thereof FABP7, SLC1A2, CAMK2A OPRM1 773/4885CCR5 3433/4885OPRD1 161/4885

“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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