SCHEMBL4211913

SCHEMBL4211913

Cc1cc(C)c(NCC(=O)N(C)C2CCN(Cc3ccccc3)CC2)c(C)c1N

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.50
▸ SIGMAR1 Q99720 4/20 0.48
▸ DRD2 P14416 3/20 0.48
▸ HTR2A P28223 3/20 0.48
▸ HTR2C P28335 3/20 0.48
▸ HTR2B P41595 3/20 0.48
▸ OPRM1 P35372 3/20 0.45
▸ CHRM2 P08172 4/20 0.43
▸ CHRM3 P20309 4/20 0.43
▸ CCR5 P51681 2/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ POLB P06746 1/20 0.42
▸ CCR3 P51677 1/20 0.42
▸ CCR4 P51679 1/20 0.41

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
SCHEMBL4204487 0.90 MCHR1 (0.54) KCNH2SIGMAR1CCR3CCR4
SCHEMBL4209657 0.88 KCNH2 (0.53) KCNH2SIGMAR1DRD2HTR2AHTR2C
SCHEMBL4212647 0.87 CCR5 (0.39) KCNH2CCR5KMT2ACCR3
SCHEMBL4212648 0.86 CCR5 (0.44) OPRM1CCR5
SCHEMBL4217152 0.85 ACHE (0.41) CCR5
SCHEMBL4218442 0.84 MCHR1 (0.44) SIGMAR1DRD2HTR2AHTR2CHTR2B
SCHEMBL4218448 0.84 MCHR1 (0.44) SIGMAR1DRD2HTR2AHTR2CHTR2B
SCHEMBL4199649 0.84 CCR5 (0.34) CCR5MEN1KMT2A
SCHEMBL4202356 0.83 KMT2A (0.44) MEN1KMT2A
SCHEMBL4202369 0.82 HTR4 (0.40) HTR2CHTR2BCCR5POLB

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 KCNH2 554/4885SIGMAR1 885/4885DRD2 679/4885
US-20040063748-A1 Aminophenoxyacetic acid derivatives and pharmaceutical composition containing thereof FABP7, SLC1A2, CAMK2A KCNH2 953/4885SIGMAR1 851/4885DRD2 565/4885

“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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