SCHEMBL3085689

SCHEMBL3085689

O=C(CCCCc1cccnc1)NCCCCN1CCC(=C2c3ccccc3CSc3ccccc32)CC1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.49
FNTB P49356 1/20 0.49
PTAFR P25105 4/20 0.46
NAMPT P43490 3/20 0.42
HTR1A P08908 1/20 0.42
HTR7 P34969 1/20 0.42
ALDH1A1 P00352 1/20 0.41
DRD3 P35462 3/20 0.41
OPRL1 P41146 2/20 0.41
KMT2A Q03164 1/20 0.39
DRD2 P14416 2/20 0.39

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
SCHEMBL6264127 0.95 FNTA (0.50) FNTAFNTBPTAFRNAMPTHTR1A
Hydrochloric Acid SCHEMBL3081368 0.95 FNTA (0.49) FNTAFNTBPTAFRNAMPTHTR1A
SCHEMBL83394 0.85 DRD3 (0.46) FNTAFNTBPTAFRNAMPTHTR1A
SCHEMBL9844279 0.77 FNTA (0.54) FNTAFNTBPTAFRHTR1AHTR7
SCHEMBL9844244 0.76 FNTA (0.53) FNTAFNTBPTAFRHTR1ADRD3
SCHEMBL9844384 0.76 FNTA (0.53) FNTAFNTBPTAFRHTR1ADRD3
Hydrochloric Acid SCHEMBL9844374 0.76 FNTA (0.53) FNTAFNTBPTAFRHTR1AHTR7
SCHEMBL9844251 0.76 FNTA (0.53) FNTAFNTBPTAFRHTR1ADRD3
Hydrochloric Acid SCHEMBL9844527 0.75 FNTA (0.52) FNTAFNTBPTAFRHTR1ADRD3
Hydrochloric Acid SCHEMBL9844268 0.75 FNTA (0.52) FNTAFNTBPTAFRHTR1ADRD3

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 8 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
EP-1044197-B1 PIPERIDINYL-SUBSTITUTED PYRIDYLALKANE, ALKENE AND ALKYNE CARBOXAMIDES AS CYTOSTATIC AGENTS AND IMMUNOSUPPRESSANTS ASTELLAS PHARMA GMBH (DE) 2006-04-19 EP claimed
EP-1079832-B1 USE OF VITAMIN PP COMPOUNDS KLINGE CO CHEM PHARM FAB (DE) 2005-11-30 EP claimed
US-6593344-B1 These substances have especially high cytostatic activities and pronounced immunosuppressive properties which make them suitable for therapeutic treatment in broad tumor spectrum and autoimmune diseases KLINGE PHARMA GMBH (DE) 2003-07-15 US claimed
US-20100227896-A1 USE OF VITAMIN PP COMPOUNDS ASTELLAS DEUTSCHLAND GMBH (DE) 2010-09-09 US disclosed
EP-1044197-B1 PIPERIDINYL-SUBSTITUTED PYRIDYLALKANE, ALKENE AND ALKYNE CARBOXAMIDES AS CYTOSTATIC AGENTS AND IMMUNOSUPPRESSANTS ASTELLAS PHARMA GMBH (DE) 2006-04-19 EP disclosed
EP-1079832-B1 USE OF VITAMIN PP COMPOUNDS KLINGE CO CHEM PHARM FAB (DE) 2005-11-30 EP disclosed
US-6593344-B1 These substances have especially high cytostatic activities and pronounced immunosuppressive properties which make them suitable for therapeutic treatment in broad tumor spectrum and autoimmune diseases KLINGE PHARMA GMBH (DE) 2003-07-15 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 (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-20100227896-A1 USE OF VITAMIN PP COMPOUNDS PNPO, NAMPT, NAPRT FNTA 1132/4885FNTB 1837/4885PTAFR 1637/4885

“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.