SCHEMBL88226

SCHEMBL88226

O=C(COc1cccnc1)NCCCCN1CCN(C2c3ccccc3-c3ccccc32)CC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 2/20 0.45
▸ HTR2A P28223 1/20 0.45
▸ DRD3 P35462 1/20 0.45
▸ ACHE P22303 3/20 0.45
▸ ALDH1A1 P00352 2/20 0.44
▸ HTT P42858 2/20 0.44
▸ MAPT P10636 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ RRM1 P23921 1/20 0.42
▸ DRD2 P14416 1/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41

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
SCHEMBL3079533 0.81 HTR1A (0.56) HTR1AHTR2ADRD3ACHEDRD2
SCHEMBL82168 0.79 KCNH2 (0.49) HTR1AHTR2ADRD3ACHEHTT
SCHEMBL88032 0.78 DRD2 (0.60) DRD3MAPTDRD2CYP1A2CYP3A4
SCHEMBL88031 0.78 DRD2 (0.60) DRD3MAPTDRD2CYP1A2CYP3A4
SCHEMBL3088767 0.78 DRD3 (0.59) DRD3MAPTDRD2CYP1A2CYP3A4
SCHEMBL3081483 0.78 DRD3 (0.59) DRD3MAPTDRD2CYP1A2CYP3A4
SCHEMBL3081482 0.78 DRD3 (0.59) DRD3MAPTDRD2CYP1A2CYP3A4
SCHEMBL3088770 0.78 DRD3 (0.59) DRD3MAPTDRD2CYP1A2CYP3A4
SCHEMBL3077208 0.74 FNTA (0.47) HTR1AHTR2ADRD3ALDH1A1DRD2
SCHEMBL6482895 0.73 FNTA (0.47) HTR1AHTR2ADRD3ALDH1A1DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4607319-B2 — — 2011-01-05 — — JP claimed
US-20100227896-A1 USE OF VITAMIN PP COMPOUNDS ASTELLAS DEUTSCHLAND GMBH (DE) 2010-09-09 — — US claimed
EP-1079832-B1 USE OF VITAMIN PP COMPOUNDS KLINGE CO CHEM PHARM FAB (DE) 2005-11-30 — — EP claimed
EP-1060163-B1 NEW PIPERAZINYL-SUBSTITUTED PYRIDYLALKANE, ALKENE AND ALKINE CARBOXAMIDES KLINGE CO CHEM PHARM FAB (DE) 2005-10-12 — — EP claimed
US-6903118-B1 Piperazinyl-substituted pyridylalkane, alkene and alkine carboxamides KLINGE PHARMA GMBH (DE) 2005-06-07 — — US claimed
JP-2002512190-A — — 2002-04-23 — — JP claimed
EP-1079832-A1 USE OF VITAMIN PP COMPOUNDS Klinge Pharma GmbH (DE) 2001-03-07 — — EP claimed
EP-1060163-A1 NEW PIPERAZINYL-SUBSTITUTED PYRIDYLALKANE, ALKENE AND ALKINE CARBOXAMIDES Klinge Pharma GmbH (DE) 2000-12-20 — — EP claimed
WO-1999053920-A1 USE OF VITAMIN PP COMPOUNDS KLINGE PHARMA GMBH (DE) 1999-10-28 — — WO claimed
WO-1999031063-A1 NEW PIPERAZINYL-SUBSTITUTED PYRIDYLALKANE, ALKENE AND ALKINE CARBOXAMIDES KLINGE PHARMA GMBH (DE) 1999-06-24 — — WO 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-1060163-B1 NEW PIPERAZINYL-SUBSTITUTED PYRIDYLALKANE, ALKENE AND ALKINE CARBOXAMIDES KLINGE CO CHEM PHARM FAB (DE) 2005-10-12 — — EP disclosed
US-6903118-B1 Piperazinyl-substituted pyridylalkane, alkene and alkine carboxamides KLINGE PHARMA GMBH (DE) 2005-06-07 — — US disclosed
EP-1079832-A1 USE OF VITAMIN PP COMPOUNDS Klinge Pharma GmbH (DE) 2001-03-07 — — EP disclosed
EP-1060163-A1 NEW PIPERAZINYL-SUBSTITUTED PYRIDYLALKANE, ALKENE AND ALKINE CARBOXAMIDES Klinge Pharma GmbH (DE) 2000-12-20 — — EP disclosed
WO-1999053920-A1 USE OF VITAMIN PP COMPOUNDS KLINGE PHARMA GMBH (DE) 1999-10-28 — — WO disclosed
WO-1999031063-A1 NEW PIPERAZINYL-SUBSTITUTED PYRIDYLALKANE, ALKENE AND ALKINE CARBOXAMIDES KLINGE PHARMA GMBH (DE) 1999-06-24 — — 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-20100227896-A1 USE OF VITAMIN PP COMPOUNDS PNPO, NAMPT, NAPRT HTR1A 3335/4885HTR2A 3740/4885DRD3 4289/4885

“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.

Send feedback