SCHEMBL3045277

SCHEMBL3045277

CN(CCCN1CCN(Cc2ccccc2)CC1)CC(O)=S

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MC4R P32245 1/20 0.54
CCR3 P51677 1/20 0.52
SIGMAR1 Q99720 4/20 0.52
PHGDH O43175 1/20 0.48
MGLL Q99685 1/20 0.48
OPRM1 P35372 1/20 0.47
ALDH1A1 P00352 1/20 0.46
MAPK1 P28482 1/20 0.46
BCHE P06276 1/20 0.46
HTR6 P50406 1/20 0.46
LMNA P02545 1/20 0.45
POLB P06746 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
SCHEMBL3045283 0.92 MC4R (0.57) MC4RCCR3SIGMAR1PHGDHMGLL
SCHEMBL3054073 0.84 KCNH2 (0.56) SIGMAR1
SCHEMBL3045299 0.81 PAOX (0.40) SIGMAR1PHGDHMGLLALDH1A1POLB
SCHEMBL3051235 0.76 HRH3 (0.42) SIGMAR1ALDH1A1MAPK1
SCHEMBL6657455 0.75 CCR3 (0.85) MC4RCCR3SIGMAR1LMNAPOLB
SCHEMBL6659913 0.75 CCR3 (0.79) MC4RCCR3SIGMAR1ALDH1A1LMNA
SCHEMBL3055107 0.75 HTR7 (0.54) SIGMAR1
SCHEMBL10745029 0.75 MC4R (0.65) MC4RCCR3SIGMAR1OPRM1LMNA
Hydrochloric Acid SCHEMBL10502885 0.74 CCR3 (0.76) MC4RCCR3SIGMAR1LMNAPOLB
SCHEMBL6657649 0.74 CCR3 (0.82) MC4RCCR3SIGMAR1LMNAPOLB

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 MC4R 3606/4885CCR3 896/4885SIGMAR1 1115/4885
US-20010025025-A1 Novel process for the preparation of cyclosporin derivatives MGMT, MALT1, TET2 MC4R 3606/4885CCR3 896/4885SIGMAR1 1115/4885
US-20100173838-A1 NOVEL PROCESS FOR THE PREPARATION OF CYCLOSPORIN DERIVATIVES MGMT, MALT1, CHP1 MC4R 3735/4885CCR3 972/4885SIGMAR1 787/4885

“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.