SCHEMBL4526865

SCHEMBL4526865

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

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 5/20 0.48
▸ GPR119 Q8TDV5 4/20 0.48
▸ LTA4H P09960 4/20 0.44
▸ DRD2 P14416 3/20 0.41
▸ HTR2A P28223 3/20 0.41
▸ HTR2C P28335 2/20 0.41
▸ HTR2B P41595 2/20 0.41
▸ SIGMAR1 Q99720 2/20 0.41
▸ CCR3 P51677 1/20 0.41
▸ KDM1A O60341 3/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ CCR5 P51681 1/20 0.40
▸ MCHR1 Q99705 1/20 0.39
▸ MAOB P27338 1/20 0.39
▸ SLC6A4 P31645 1/20 0.39
▸ SCN5A Q14524 1/20 0.39
▸ OPRM1 P35372 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39

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
SCHEMBL4201843 0.92 KCNH2 (0.48) KCNH2GPR119DRD2HTR2AHTR2C
SCHEMBL4209657 0.91 KCNH2 (0.53) KCNH2GPR119DRD2HTR2AHTR2C
SCHEMBL4207304 0.87 KCNH2 (0.45) KCNH2GPR119DRD2HTR2AHTR2C
SCHEMBL13928769 0.81 CCR5 (0.41) KCNH2HTR2AHTR2CCCR5MAOB
SCHEMBL4207407 0.81 OPRM1 (0.50) KCNH2DRD2SIGMAR1CCR5MAOB
SCHEMBL4211913 0.80 KCNH2 (0.50) KCNH2DRD2HTR2AHTR2CHTR2B
SCHEMBL4208066 0.79 CCR5 (0.38) CCR5
SCHEMBL5882245 0.79 CCR5 (0.33) KCNH2GPR119CCR5ALDH1A1
SCHEMBL4202240 0.79 CCR5 (0.37) CCR5
SCHEMBL13928748 0.78 CCR5 (0.38) KCNH2DRD2HTR2AHTR2CHTR2B

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-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
US-20040063748-A1 Aminophenoxyacetic acid derivatives and pharmaceutical composition containing thereof ASUBIO PHARMA CO., LTD. (JP) 2004-04-01 — — 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 554/4885GPR119 632/4885LTA4H 3917/4885
US-20040063748-A1 Aminophenoxyacetic acid derivatives and pharmaceutical composition containing thereof FABP7, SLC1A2, CAMK2A KCNH2 953/4885GPR119 772/4885LTA4H 4392/4885

“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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