SCHEMBL4209657

SCHEMBL4209657

Cc1c(C)c(NCC(=O)N(C)C2CCN(Cc3ccccc3)CC2)c(C)c(C)c1N

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 3/20 0.53
▸ SIGMAR1 Q99720 6/20 0.51
▸ HTR2A P28223 4/20 0.51
▸ HTR2C P28335 4/20 0.51
▸ HTR2B P41595 4/20 0.51
▸ DRD2 P14416 3/20 0.51
▸ OPRM1 P35372 3/20 0.48
▸ CHRM2 P08172 5/20 0.47
▸ CHRM3 P20309 5/20 0.47
▸ CCR5 P51681 1/20 0.45
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ GPR119 Q8TDV5 2/20 0.43
▸ ACHE P22303 1/20 0.43

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
SCHEMBL4526865 0.91 KCNH2 (0.48) KCNH2SIGMAR1HTR2AHTR2CHTR2B
SCHEMBL4207304 0.90 KCNH2 (0.45) KCNH2SIGMAR1HTR2AHTR2CHTR2B
SCHEMBL4207407 0.90 OPRM1 (0.50) KCNH2SIGMAR1DRD2OPRM1CHRM3
SCHEMBL4201843 0.89 KCNH2 (0.48) KCNH2SIGMAR1HTR2AHTR2CHTR2B
SCHEMBL4211913 0.88 KCNH2 (0.50) KCNH2SIGMAR1HTR2AHTR2CHTR2B
SCHEMBL13928769 0.86 CCR5 (0.41) KCNH2HTR2AHTR2CCCR5
SCHEMBL13928748 0.84 CCR5 (0.38) KCNH2SIGMAR1HTR2AHTR2CHTR2B
SCHEMBL4210046 0.84 CCR5 (0.46) OPRM1CCR5MEN1KMT2A
SCHEMBL4215524 0.84 HTT (0.45) DRD2MEN1KMT2A
SCHEMBL2846358 0.84 KCNH2 (0.52) KCNH2SIGMAR1HTR2AHTR2CHTR2B

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 885/4885HTR2A 331/4885
US-20040063748-A1 Aminophenoxyacetic acid derivatives and pharmaceutical composition containing thereof FABP7, SLC1A2, CAMK2A KCNH2 953/4885SIGMAR1 851/4885HTR2A 364/4885

“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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