SCHEMBL3560156

SCHEMBL3560156

O=[N+]([O-])C1COc2ccccc2O1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NISCH Q9Y2I1 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.43
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
CA2 P00918 2/20 0.41
MTNR1A P48039 1/20 0.41
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.40

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
SCHEMBL4452603 0.83 SMN1; SMN2 (0.53) NPC1RAB9AMEN1KMT2AABCG2
SCHEMBL1134762 0.83 SMN1; SMN2 (0.53) NPC1RAB9AMEN1KMT2AABCG2
SCHEMBL28144298 0.76 HPGD (0.40) NPC1RAB9ANISCHHPGDCA2
SCHEMBL28057065 0.73 CA2 (0.42) ALDH1A1CA2
SCHEMBL30329612 0.72 NISCH (0.43) NPC1RAB9AMEN1KMT2ANISCH
SCHEMBL447295 0.71 NISCH (0.53) NPC1RAB9ANISCHHTTSMN1; SMN2
SCHEMBL6993376 0.70 P2RY6 (0.41) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL3200612 0.70 P2RY6 (0.41) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL31711236 0.70 P2RY6 (0.41) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL8557409 0.69 NISCH (0.40) NPC1RAB9AMEN1KMT2ANISCH

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
EP-1888559-A2 PIPERAZINE-PIPERIDINE ANTAGONISTS AND AGONISTS OF THE 5-HT1A RECEPTOR Wyeth a Corporation of the State of Delaware (US) 2008-02-20 EP claimed
US-20070027160-A1 5-fluoro-8-(4-(4-(6-methoxyquinolin-8-yl)piperazin-1-yl)piperidin-1-yl)quinoline; central nervous system disorders, such as cognition disorders, anxiety disorders, depression and sexual dysfunction WYETH (US) 2007-02-01 US claimed
WO-2006135839-A2 PIPERAZINE-PIPERIDINE ANTAGONISTS AND AGONISTS OF THE 5-HT1A RECEPTOR WYETH (US) 2006-12-21 WO claimed
US-7671056-B2 Piperazine-piperidine antagonists and agonists of the 5-HT1A receptor WYETH LLC (US) 2010-03-02 US disclosed
EP-1888559-A2 PIPERAZINE-PIPERIDINE ANTAGONISTS AND AGONISTS OF THE 5-HT1A RECEPTOR Wyeth a Corporation of the State of Delaware (US) 2008-02-20 EP disclosed
US-20070027160-A1 5-fluoro-8-(4-(4-(6-methoxyquinolin-8-yl)piperazin-1-yl)piperidin-1-yl)quinoline; central nervous system disorders, such as cognition disorders, anxiety disorders, depression and sexual dysfunction WYETH (US) 2007-02-01 US disclosed
WO-2006135839-A2 PIPERAZINE-PIPERIDINE ANTAGONISTS AND AGONISTS OF THE 5-HT1A RECEPTOR WYETH (US) 2006-12-21 WO disclosed
US-20060058372-A1 N-Benzodioxolyl, n-benzodioxanyl and n-benzodioxepinyl arylcarboxamide derivatives and pharmaceutical compositions comprising them MERCK PATENT GMBH (DE) 2006-03-16 US disclosed
CN-1708491-A N-benzodioxolyl, N-benzodioxanyl and N-benzodioxepinyl arylcarbonxamide derivatives, and pharmaceutical compositions comprising them MERCK PATENT GMBH (DE) 2005-12-14 CN disclosed
EP-1554263-A1 N-BENZODIOXOLYL, N-BENZODIOXANYL AND N-BENZODIOXEPINYL ARYLCARBONXAMIDE DERIVATIVES, AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM MERCK PATENT GmbH (DE) 2005-07-20 EP disclosed
WO-2004037806-A1 N-BENZODIOXOLYL, N-BENZODIOXANYL AND N-BENZODIOXEPINYL ARYLCARBONXAMIDE DERIVATIVES, AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM MERCK PATENT GMBH (DE) 2004-05-06 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 (2 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-20070027160-A1 5-fluoro-8-(4-(4-(6-methoxyquinolin-8-yl)piperazin-1-yl)piperidin-1-yl)quinoline; central nervous system disorders, such as cognition disorders, anxiety disorders, depression and sexual dysfunction HTR5A, HTR2C, HTR1D NPC1 2141/4885RAB9A 788/4885MEN1 2303/4885
US-20060058372-A1 N-Benzodioxolyl, n-benzodioxanyl and n-benzodioxepinyl arylcarboxamide derivatives and pharmaceutical compositions comprising them TBXAS1, PCSK9, APOB NPC1 70/4885RAB9A 2232/4885MEN1 4449/4885

“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.