SCHEMBL5228338

SCHEMBL5228338

CCC(OS(C)(=O)=O)C1CCN(Cc2ccccc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ RECQL P46063 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ ACHE P22303 2/20 0.51
▸ HTR2A P28223 1/20 0.51
▸ DRD2 P14416 1/20 0.49
▸ CCR3 P51677 1/20 0.47
▸ ABL1 P00519 1/20 0.46
▸ RIN1 Q13671 1/20 0.46
▸ SIGMAR1 Q99720 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.45
▸ BCHE P06276 1/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45

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
SCHEMBL7775551 0.82 RECQL (0.47) RECQLSMN1; SMN2ACHEHTR2ADRD2
SCHEMBL23274847 0.79 RECQL (0.43) RECQLSMN1; SMN2ACHEHTR2ADRD2
SCHEMBL5744278 0.77 HRH3 (0.59) RECQLSMN1; SMN2ACHEHTR2ADRD2
SCHEMBL13515107 0.76 ACHE (0.64) ACHEDRD2CCR3ABL1RIN1
SCHEMBL20012633 0.75 ACHE (0.62) ACHEDRD2CCR3ABL1RIN1
SCHEMBL9049094 0.75 ACHE (0.54) RECQLSMN1; SMN2ACHEHTR2ACCR3
SCHEMBL7952371 0.75 ACHE (0.66) ACHEDRD2CCR3ABL1RIN1
SCHEMBL5228400 0.74 ACHE (0.60) ACHEDRD2CCR3ABL1RIN1
SCHEMBL16732417 0.74 PKM (0.45) SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL10165876 0.73 ACHE (0.55) ACHEDRD2CCR3ABL1RIN1

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
EP-1818326-A1 Nitrogen-containing heterocyclic compounds and pharmaceutical composition containing the compounds Eisai R&D Management Co., Ltd. (JP) 2007-08-15 — — EP disclosed
EP-1254895-B1 NITROGENOUS CYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME EISAI R&D MAN CO LTD (JP) 2007-05-23 — — EP disclosed
US-20060084658-A1 Nitrogen-containing cyclic compound and pharmaceutical composition containing the compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2006-04-20 — — US disclosed
US-6906072-B1 Piperazine compound and pharmaceutical composition containing the compound EISAI CO., LTD. (JP) 2005-06-14 — — US disclosed
US-20040220193-A1 Nitrogen-containing cyclic compound and pharmaceutical composition containing the compound EISAI CO., LTD. 2004-11-04 — — US disclosed
EP-1254895-A1 NITROGENOUS CYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME Eisai Co., Ltd. (JP) 2002-11-06 — — EP 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-20040220193-A1 Nitrogen-containing cyclic compound and pharmaceutical composition containing the compound CACNA1D, CACNA1B, CACNA1E RECQL 3237/4885SMN1; SMN2 1079/4885ACHE 1205/4885
US-20060084658-A1 Nitrogen-containing cyclic compound and pharmaceutical composition containing the compound CACNA1B, CACNA1E, CACNA1D RECQL 3326/4885SMN1; SMN2 1311/4885ACHE 619/4885

“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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