SCHEMBL3079290

SCHEMBL3079290

O=C(CCc1cccnc1)NCCCCC1CCN(Cc2cccnc2-c2ccccc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 2/20 0.47
ACHE P22303 4/20 0.46
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
BCHE P06276 3/20 0.45
LMNA P02545 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
POLB P06746 1/20 0.43
PTAFR P25105 1/20 0.43
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
DRD3 P35462 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CXCR4 P61073 1/20 0.43
LTA4H P09960 1/20 0.43
EPHX2 P34913 1/20 0.43

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
SCHEMBL83006 0.88 ACHE (0.57) CHRM4ACHEMAOAMAOBBCHE
SCHEMBL6267945 0.87 LMNA (0.45) CHRM4LMNAPTAFRDRD2DRD3
SCHEMBL5394010 0.84 LMNA (0.50) CHRM4ACHEMAOAMAOBBCHE
SCHEMBL82572 0.81 ACHE (0.65) CHRM4ACHEMAOAMAOBBCHE
SCHEMBL3078740 0.81 NAMPT (0.66) ACHEMAOAMAOBBCHEDRD2
SCHEMBL5400171 0.80 NAMPT (0.59) LMNAPTAFRALDH1A1
SCHEMBL82335 0.79 NAMPT (0.65) LMNAPTAFRALDH1A1
SCHEMBL81910 0.78 PTAFR (0.50) LMNAPTAFRALDH1A1EPHX2
SCHEMBL3458122 0.78 NAMPT (0.64) LMNAPTAFRALDH1A1
SCHEMBL82565 0.78 LMNA (0.52) LMNAPTAFRALDH1A1EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100227896-A1 USE OF VITAMIN PP COMPOUNDS ASTELLAS DEUTSCHLAND GMBH (DE) 2010-09-09 US claimed
US-7276524-B2 Pyridyl alkane acid amides as cytostatics and immunosuppressives ASTELLAS DEUTSCHLAND GMBH (DE) 2007-10-02 US claimed
EP-1079832-B1 USE OF VITAMIN PP COMPOUNDS KLINGE CO CHEM PHARM FAB (DE) 2005-11-30 EP claimed
US-20040176605-A1 New pyridyl alkane acid amides as cytostatics and immunosuppressives KLINGE PHARMA GMBH 2004-09-09 US claimed
US-20030162972-A1 Pyridyl alkane acid amides as cytostatics and immunosupressives KLINGE PHARMA GMBH 2003-08-28 US claimed
EP-0934309-B1 NEW PYRIDYL ALKANE ACID AMIDES AS CYTOSTATICS AND IMMUNOSUPPRESSIVES FUJISAWA DEUTSCHLAND GMBH (DE) 2002-09-11 EP claimed
US-6444823-B1 ANTITUMOR AGENTS; IMMUNOSUPPRESSANTS; SIDE EFFECT REDUCTION KLINGE PHARMA GMBH (DE) 2002-09-03 US claimed
US-20100227896-A1 USE OF VITAMIN PP COMPOUNDS ASTELLAS DEUTSCHLAND GMBH (DE) 2010-09-09 US disclosed
EP-1079832-B1 USE OF VITAMIN PP COMPOUNDS KLINGE CO CHEM PHARM FAB (DE) 2005-11-30 EP disclosed
EP-1079832-A1 USE OF VITAMIN PP COMPOUNDS Klinge Pharma GmbH (DE) 2001-03-07 EP disclosed
WO-1999053920-A1 USE OF VITAMIN PP COMPOUNDS KLINGE PHARMA GMBH (DE) 1999-10-28 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-20040176605-A1 New pyridyl alkane acid amides as cytostatics and immunosuppressives ALK, ANXA1, ANXA11 CHRM4 3177/4885ACHE 4538/4885MAOA 2321/4885
US-20030162972-A1 Pyridyl alkane acid amides as cytostatics and immunosupressives ALK, TYMP, ANXA1 CHRM4 3502/4885ACHE 4259/4885MAOA 1586/4885
US-20100227896-A1 USE OF VITAMIN PP COMPOUNDS PNPO, NAMPT, NAPRT CHRM4 3339/4885ACHE 2062/4885MAOA 308/4885

“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.