SCHEMBL3557751

SCHEMBL3557751

O=C1CCN(c2ccc(F)c3cccnc23)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
MPI P34949 1/20 0.50
MAPT P10636 9/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
TNNI3 P19429 1/20 0.48
TNNT2 P45379 1/20 0.48
TNNC1 P63316 1/20 0.48
ALDH1A1 P00352 4/20 0.47
MAPK1 P28482 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
HTR1A P08908 2/20 0.47
LMNA P02545 4/20 0.44
CTSB P07858 1/20 0.43
KMT2A Q03164 1/20 0.42
SLC40A1 Q9NP59 1/20 0.39
COMT P21964 1/20 0.39
PARP1 P09874 1/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 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
SCHEMBL28701397 0.82 KDM4E (0.53) KDM4EL3MBTL1MPIMAPTSMN1; SMN2
SCHEMBL3566110 0.81 MAPT (0.62) KDM4EL3MBTL1MPIMAPTSMN1; SMN2
SCHEMBL14095081 0.80 HTR1A (0.54) KDM4EL3MBTL1MPIMAPTSMN1; SMN2
SCHEMBL13437112 0.78 KDM4E (0.48) KDM4EL3MBTL1MPIMAPTSMN1; SMN2
SCHEMBL3561305 0.77 HTR2A (0.44) KDM4EL3MBTL1MAPTSMN1; SMN2TNNI3
SCHEMBL3565769 0.76 HTR2A (0.65) L3MBTL1ALDH1A1HTR1ALMNAKMT2A
SCHEMBL3558707 0.74 HTR1A (0.47) KDM4EL3MBTL1MPIMAPTSMN1; SMN2
SCHEMBL2844754 0.72 LMNA (0.59) L3MBTL1MAPTALDH1A1MAPK1LMNA
SCHEMBL7957352 0.72 ADRB2 (0.51) KDM4EMAPTSMN1; SMN2ALDH1A1HTR1A
SCHEMBL3556376 0.71 HTR1A (0.73) HTR1A

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7671056-B2 Piperazine-piperidine antagonists and agonists of the 5-HT1A receptor WYETH LLC (US) 2010-03-02 US disclosed
US-7671056-B2 Piperazine-piperidine antagonists and agonists of the 5-HT1A receptor WYETH LLC (US) 2010-03-02 US disclosed
US-7671056-B2 Piperazine-piperidine antagonists and agonists of the 5-HT1A receptor WYETH LLC (US) 2010-03-02 US disclosed
WO-2008067390-A9 METABOLITES OF 5-FLUORO-8-{4-[4-(6-METHOXYQUINOLIN-8-YL)PIPERAZIN-1-YL]PIPERIDIN-1-YL} QUINOLINE AND METHODS OF PREPARATION AND USES THEREOF WYETH CORP (US) 2009-05-22 WO disclosed
WO-2008067390-A9 METABOLITES OF 5-FLUORO-8-{4-[4-(6-METHOXYQUINOLIN-8-YL)PIPERAZIN-1-YL]PIPERIDIN-1-YL} QUINOLINE AND METHODS OF PREPARATION AND USES THEREOF WYETH CORP (US) 2009-05-22 WO disclosed
EP-2035384-A2 PROCESS FOR SYNTHESIZING PIPERAZINE-PIPERIDINE COMPOUNDS Wyeth a Corporation of the State of Delaware (US) 2009-03-18 EP disclosed
EP-2029577-A2 CRYSTALLINE FORMS OF 6-METHOXY-8-[4-(1-(5-FLUORO)-QUINOLIN-8-YL-PIPERIDIN-4-YL)-PIPERAZIN-1-YL]-QUINOLINE Wyeth (US) 2009-03-04 EP disclosed
EP-2027112-A2 SUCCINATE SALTS OF 6-METHOXY-8-[4-(1-(5-FLUORO)-QUINOLIN-8-YL-PIPERIDIN-4-YL)-PIPERAZIN-1-YL]-QUINOLINE AND CRYSTALLINE FORMS THEREOF Wyeth (US) 2009-02-25 EP disclosed
EP-2027111-A2 6-METHOXY-8-[4-(1-(5-FLUORO)-QUINOLIN-8-YL-PIPERIDIN-4-YL)-PIPERAZIN-1-YL]-QUINOLINE HYDROCHLORIC ACID SALTS Wyeth (US) 2009-02-25 EP disclosed
US-20080262228-A1 Metabolites of 5-fluoro-8- quinoline and methods of preparation and uses thereof WYETH (US) 2008-10-23 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-20070299083-A1 6-Methoxy-8-[4-(1-(5-fluoro)-quinolin-8-yl-piperidin-4-yl)-piperazin-1-yl]-quinoline hydrochloric acid salts WYETH (US) 2007-12-27 US disclosed
WO-2007146116-A2 CRYSTALLINE FORMS OF 6-METHOXY-8-[4-(1-(5-FLUORO)-QUINOLIN-8-YL-PIPERIDIN-4-YL)-PIPERAZIN-1-YL]-QUINOLINE WYETH (US) 2007-12-21 WO disclosed
WO-2007146115-A2 6-METHOXY-8-[4-(1-(5-FLUORO)-QUINOLIN-8-YL-PIPERIDIN-4-YL)-PIPERAZIN-1-YL]-QUINOLINE HYDROCHLORIC ACID SALTS WYETH (US) 2007-12-21 WO disclosed
WO-2007146072-A2 PROCESS FOR SYNTHESIZING PIPERAZINE-PIPERIDINE COMPOUNDS WYETH (US) 2007-12-21 WO disclosed
WO-2007146202-A2 SUCCINATE SALTS OF 6-METHOXY-8-[4-(1-(5-FLUORO)-QUINOLIN-8-YL-PIPERIDIN-4-YL)-PIPERAZIN-1-YL]-QUINOLINE AND CRYSTALLINE FORMS THEREOF WYETH (US) 2007-12-21 WO 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
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
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

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-20070299083-A1 6-Methoxy-8-[4-(1-(5-fluoro)-quinolin-8-yl-piperidin-4-yl)-piperazin-1-yl]-quinoline hydrochloric acid salts HTR5A, HTR2C, HTR1A KDM4E 3120/4885L3MBTL1 4858/4885MPI 1815/4885
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 KDM4E 907/4885L3MBTL1 4495/4885MPI 3230/4885
US-20080262228-A1 Metabolites of 5-fluoro-8- quinoline and methods of preparation and uses thereof UGT1A8, CYP2C8, NQO1 KDM4E 1201/4885L3MBTL1 4423/4885MPI 1444/4885

“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.