SCHEMBL4212580

SCHEMBL4212580

CCc1ccccc1N1CCC(N(C)C(=O)CN(C)c2c(C)c(C)c(N)c(C)c2C)CC1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.40
▸ NPY5R Q15761 2/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ POLB P06746 2/20 0.37
▸ CCR5 P51681 6/20 0.37
▸ OPRM1 P35372 3/20 0.36
▸ CASP1 P29466 1/20 0.36
▸ CASP7 P55210 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ LGMN Q99538 1/20 0.34
▸ KCNH2 Q12809 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
SCHEMBL4207412 0.84 NPY5R (0.39) KMT2ANPY5RMEN1POLBCCR5
SCHEMBL4212577 0.79 OPRM1 (0.53) CCR5OPRM1KCNH2
SCHEMBL4218106 0.77 NPY5R (0.40) KMT2ANPY5RMEN1POLBCCR5
SCHEMBL4210755 0.75 MEN1 (0.36) KMT2ANPY5RMEN1CCR5OPRM1
SCHEMBL4210620 0.75 POLB (0.41) KMT2ANPY5RMEN1POLBOPRM1
SCHEMBL4199545 0.74 NPY5R (0.40) KMT2ANPY5RMEN1POLBCCR5
SCHEMBL4205933 0.74 CHRM1 (0.39) ALDH1A1KCNH2
SCHEMBL4217148 0.71 CCR5 (0.39) KMT2ANPY5RMEN1CCR5KDM4E
SCHEMBL10653491 0.70 OPRM1 (0.42) KMT2AMEN1OPRM1CASP1CASP7
Hydrochloric Acid SCHEMBL10655291 0.69 OPRM1 (0.41) KMT2AMEN1OPRM1CASP1CASP7

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 6 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-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 KMT2A 2011/4885NPY5R 113/4885MEN1 4652/4885
US-20040063748-A1 Aminophenoxyacetic acid derivatives and pharmaceutical composition containing thereof FABP7, SLC1A2, CAMK2A KMT2A 2239/4885NPY5R 119/4885MEN1 4714/4885

“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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