SCHEMBL3047656

SCHEMBL3047656

CN(CCCCN)CC(O)=S

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.56
NFKB1 P19838 2/20 0.30
TDP1 Q9NUW8 1/20 0.30
CYP2D6 P10635 1/20 0.30

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
SCHEMBL3053086 0.93 CHRM2 (0.46) CHRM2TDP1
SCHEMBL3052224 0.84
SCHEMBL3046172 0.82 ALDH1A1 (0.46)
SCHEMBL3051346 0.80 KDM5A (0.42) CHRM2
SCHEMBL24112603 0.78 CHRM2 (0.56) CHRM2NFKB1TDP1CYP2D6
SCHEMBL8023238 0.77 ALDH1A1 (0.41)
Ammonia Solution, Strong SCHEMBL27395832 0.77 CHRM2 (0.54) CHRM2NFKB1TDP1CYP2D6
SCHEMBL3050142 0.77 SIGMAR1 (0.36) CHRM2
SCHEMBL3046229 0.76 KDM5A (0.38)
SCHEMBL2399328 0.75 CHRM2 (0.94) CHRM2NFKB1TDP1

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-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
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
EP-1098903-A1 NOVEL METHOD FOR PREPARING CYCLOSPORIN DERIVATIVES Aventis Pharma S.A. (FR) 2001-05-16 EP disclosed
EP-0979244-A1 NOVEL CYCLOSPORIN DERIVATIVES, PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME Aventis Pharma S.A. (FR) 2000-02-16 EP disclosed
WO-1999067280-A1 NOVEL METHOD FOR PREPARING CYCLOSPORIN DERIVATIVES AVENTIS PHARMA S.A. (FR) 1999-12-29 WO disclosed
WO-1998049193-A1 NOVEL CYCLOSPORIN DERIVATIVES, PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME RHONE-POULENC RORER S.A. (FR) 1998-11-05 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 (1 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-20100173838-A1 NOVEL PROCESS FOR THE PREPARATION OF CYCLOSPORIN DERIVATIVES MGMT, MALT1, CHP1 CHRM2 3832/4885NFKB1 328/4885TDP1 2928/4885

“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.