SCHEMBL3045283

SCHEMBL3045283

CN(CCN1CCN(Cc2ccccc2)CC1)CC(O)=S

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MC4R P32245 1/20 0.57
SIGMAR1 Q99720 5/20 0.52
OPRM1 P35372 1/20 0.52
PHGDH O43175 1/20 0.50
MGLL Q99685 1/20 0.50
ALDH1A1 P00352 4/20 0.48
MAPK1 P28482 1/20 0.48
CCR3 P51677 1/20 0.48
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
HPGD P15428 2/20 0.46
DUSP3 P51452 2/20 0.46
PTPN5 P54829 2/20 0.46
PTPN11 Q06124 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.45
HRH3 Q9Y5N1 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
SCHEMBL3045277 0.92 MC4R (0.54) MC4RSIGMAR1OPRM1PHGDHMGLL
SCHEMBL3055107 0.83 HTR7 (0.54) SIGMAR1HRH3
SCHEMBL10745029 0.80 MC4R (0.65) MC4RSIGMAR1OPRM1CCR3LMNA
SCHEMBL3050164 0.80 MGLL (0.37) MC4RSIGMAR1PHGDHMGLL
SCHEMBL3054073 0.75 KCNH2 (0.56) SIGMAR1
SCHEMBL3759668 0.75 SIGMAR1 (0.46) SIGMAR1HRH3
SCHEMBL1044943 0.74 MC4R (1.00) MC4RSIGMAR1CCR3LMNAPOLB
SCHEMBL2316820 0.74 MC4R (1.00) MC4RSIGMAR1CCR3LMNAPOLB
SCHEMBL221139 0.74 MC4R (1.00) MC4RSIGMAR1CCR3LMNAPOLB
SCHEMBL6659339 0.74 SIGMAR1 (0.86) MC4RSIGMAR1CCR3LMNAPOLB

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 12 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
EP-1098903-A1 NOVEL METHOD FOR PREPARING CYCLOSPORIN DERIVATIVES Aventis Pharma S.A. (FR) 2001-05-16 EP disclosed
WO-1999067280-A1 NOVEL METHOD FOR PREPARING CYCLOSPORIN DERIVATIVES AVENTIS PHARMA S.A. (FR) 1999-12-29 WO 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 MC4R 3606/4885SIGMAR1 1115/4885OPRM1 3569/4885
US-20010025025-A1 Novel process for the preparation of cyclosporin derivatives MGMT, MALT1, TET2 MC4R 3606/4885SIGMAR1 1115/4885OPRM1 3569/4885
US-20100173838-A1 NOVEL PROCESS FOR THE PREPARATION OF CYCLOSPORIN DERIVATIVES MGMT, MALT1, CHP1 MC4R 3735/4885SIGMAR1 787/4885OPRM1 3401/4885

“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.