SCHEMBL3046262

SCHEMBL3046262

CN(CCCN(C)c1ccccc1)CC(O)=S

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.40
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM5 P08912 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
PPARG P37231 1/20 0.39
TAAR1 Q96RJ0 1/20 0.38
CA12 O43570 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
FAAH O00519 1/20 0.38
PHGDH O43175 1/20 0.38
MGLL Q99685 1/20 0.38
CA1 P00915 1/20 0.38
BCHE P06276 1/20 0.37
LMNA P02545 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
LTA4H P09960 1/20 0.36
MEN1 O00255 1/20 0.35

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
SCHEMBL3054531 0.97 SIGMAR1 (0.43) SIGMAR1PPARGTAAR1CA12CA2
SCHEMBL3052024 0.89 CA12 (0.40) PPARGTAAR1CA12CA2CA9
SCHEMBL11145951 0.81 CA12 (0.47) SIGMAR1PPARGTAAR1CA12CA2
SCHEMBL3047704 0.79 SIGMAR1 (0.57) SIGMAR1CA12CA2CA9MGLL
SCHEMBL13645984 0.77 SIGMAR1 (0.48) SIGMAR1PPARGTAAR1CA12CA2
SCHEMBL3050138 0.76 SIGMAR1 (0.62) SIGMAR1LTA4HMEN1KMT2A
SCHEMBL21448012 0.75 HTR2A (0.50) SIGMAR1CHRM2CHRM4CHRM5CHRM1
SCHEMBL17037834 0.75 SIGMAR1 (0.52) SIGMAR1PPARGTAAR1CA12CA2
SCHEMBL7524554 0.74 L3MBTL1 (0.46) PPARGTAAR1CA12CA2CA9
SCHEMBL3051182 0.73 ALDH1A1 (0.50) SIGMAR1L3MBTL1LTA4HKMT2A

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 14 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
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 (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 SIGMAR1 1115/4885CHRM2 3844/4885CHRM4 4034/4885
US-20010025025-A1 Novel process for the preparation of cyclosporin derivatives MGMT, MALT1, TET2 SIGMAR1 1115/4885CHRM2 3844/4885CHRM4 4034/4885
US-20100173838-A1 NOVEL PROCESS FOR THE PREPARATION OF CYCLOSPORIN DERIVATIVES MGMT, MALT1, CHP1 SIGMAR1 787/4885CHRM2 3832/4885CHRM4 4079/4885

“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.