SCHEMBL3054073

SCHEMBL3054073

CN(CCCN1CCN(c2ccccc2)CC1)CC(O)=S

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.56
HTR7 P34969 12/20 0.56
CYP2D6 P10635 1/20 0.52
SIGMAR1 Q99720 3/20 0.51
DRD2 P14416 1/20 0.51

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
SCHEMBL3055107 0.92 HTR7 (0.54) KCNH2HTR7CYP2D6SIGMAR1DRD2
SCHEMBL3045277 0.84 MC4R (0.54) SIGMAR1
SCHEMBL3045299 0.81 PAOX (0.40) SIGMAR1
SCHEMBL7761119 0.77 HPGD (0.46) SIGMAR1
SCHEMBL3051235 0.76 HRH3 (0.42) SIGMAR1
SCHEMBL10678137 0.76 KCNH2 (0.65) KCNH2HTR7CYP2D6SIGMAR1DRD2
SCHEMBL5988317 0.75 KCNH2 (0.88) KCNH2CYP2D6SIGMAR1DRD2
SCHEMBL3045283 0.75 MC4R (0.57) SIGMAR1
SCHEMBL4528457 0.74 KCNH2 (1.00) KCNH2HTR7CYP2D6SIGMAR1DRD2
SCHEMBL7382406 0.73 KCNH2 (0.76) KCNH2HTR7CYP2D6SIGMAR1DRD2

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010025025-A1 Novel process for the preparation of cyclosporin derivatives AVENTIS PHARMA S.A. (FR) 2001-09-27 US claimed
US-20100173838-A1 NOVEL PROCESS FOR THE PREPARATION OF CYCLOSPORIN DERIVATIVES VISKOV CHRISTIAN 2010-07-08 US disclosed
US-7678766-B2 Process for the preparation of cyclosporin derivatives AVENTIS PHARMA S.A. (FR) 2010-03-16 US disclosed
EP-1098903-B1 METHOD FOR PREPARING CYCLOSPORIN DERIVATIVES AVENTIS PHARMA SA (FR) 2008-09-03 EP disclosed
US-20070213260-A1 Novel process for the preparation of cyclosporin derivatives AVENTIS PHARMA S.A. 2007-09-13 US disclosed
US-7226905-B2 Process for the preparation of cyclosporin derivatives AVENTIS PHARMA S.A. (FR) 2007-06-05 US disclosed
EP-0979244-B1 NOVEL CYCLOSPORIN DERIVATIVES, PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AVENTIS PHARMA SA (FR) 2005-03-02 EP disclosed
EP-1040121-B1 NOVEL METHOD FOR PREPARING CYLOSPORIN DERIVATIVES AVENTIS PHARMA (FR) 2004-07-21 EP disclosed
EP-0948527-B1 CYCLOSPORIN DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AVENTIS PHARMA SA (FR) 2002-06-05 EP disclosed
US-20010025025-A1 Novel process for the preparation of cyclosporin derivatives AVENTIS PHARMA S.A. (FR) 2001-09-27 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 (3 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-20070213260-A1 Novel process for the preparation of cyclosporin derivatives MGMT, MALT1, TET2 KCNH2 1281/4885HTR7 1198/4885CYP2D6 771/4885
US-20010025025-A1 Novel process for the preparation of cyclosporin derivatives MGMT, MALT1, TET2 KCNH2 1281/4885HTR7 1198/4885CYP2D6 771/4885
US-20100173838-A1 NOVEL PROCESS FOR THE PREPARATION OF CYCLOSPORIN DERIVATIVES MGMT, MALT1, CHP1 KCNH2 1119/4885HTR7 1310/4885CYP2D6 935/4885

“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.