SCHEMBL3556491

SCHEMBL3556491

COc1cc(N2CCN(C3CCN(c4ccc(F)c5cccnc45)CC3)CC2)c2ncccc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 19/20 1.00

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
Hydrochloric Acid SCHEMBL4190862 0.99 HTR1A (0.98) HTR1A
Hydrochloric Acid SCHEMBL4337708 0.98 HTR1A (0.96) HTR1A
Hydrochloric Acid SCHEMBL3556285 0.98 HTR1A (0.96) HTR1A
SCHEMBL3569932 0.93 HTR1A (0.86) HTR1A
Succinic Acid SCHEMBL4972290 0.93 HTR1A (0.85) HTR1A
SCHEMBL3571298 0.92 HTR1A (1.00) HTR1A
SCHEMBL3562043 0.90 HTR1A (0.81) HTR1A
SCHEMBL3558365 0.90 HTR1A (1.00) HTR1A
SCHEMBL3563584 0.90 HTR1A (1.00) HTR1A
SCHEMBL14030477 0.90 HTR1A (0.89) 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 109 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 claimed
CN-101466365-A Method for enhancing cognitive function WYETH CORP (US) 2009-06-24 CN claimed
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 claimed
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 claimed
EP-2026783-A2 METHOD FOR ENHANCING COGNITIVE FUNCTION Wyeth a Corporation of the State of Delaware (US) 2009-02-25 EP claimed
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 claimed
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 claimed
US-20080262228-A1 Metabolites of 5-fluoro-8- quinoline and methods of preparation and uses thereof WYETH (US) 2008-10-23 US claimed
US-20080226714-A1 SUSTAINED-RELEASE TABLET FORMULATIONS OF PIPERAZINE-PIPERIDINE ANTAGONISTS AND AGONISTS OF THE 5-HT1A RECEPTOR HAVING ENHANCED INTESTINAL DISSOLUTION WYETH (US) 2008-09-18 US claimed
WO-2008101139-A1 SUSTAINED-RELEASE TABLET FORMULATIONS OF PIPERAZINE-PIPERIDINE ANTAGONISTS AND AGONISTS OF THE 5-HT1A RECEPTOR HAVING ENHANCED INTESTINAL DISSOLUTION WYETH (US) 2008-08-21 WO claimed
US-20080045510-A1 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) 2008-02-21 US claimed
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-20080032965-A1 Method for enhancing cognitive function WYETH 2008-02-07 US claimed
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 claimed
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 claimed
WO-2007146073-A2 METHOD FOR ENHANCING COGNITIVE FUNCTION WYETH (US) 2007-12-21 WO claimed
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 claimed
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 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-20080226714-A1 SUSTAINED-RELEASE TABLET FORMULATIONS OF PIPERAZINE-PIPERIDINE ANTAGONISTS AND AGONISTS OF THE 5-HT1A RECEPTOR HAVING ENHANCED INTESTINAL DISSOLUTION HTR5A, HTR2A, HTR1A HTR1A 3/4885
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 HTR1A 3/4885
US-20080032965-A1 Method for enhancing cognitive function HTR2A, HTR5A, HTR1A HTR1A 3/4885
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 HTR1A 4/4885
US-20080045510-A1 Succinate salts of 6-methoxy-8-[4-(1-(5-fluoro)-quinolin-8-yl-piperidin-4-yl)-piperazin-1-yl]-quinoline and crystalline forms thereof HTR5A, SUCNR1, HTR2C HTR1A 4/4885
US-20080262228-A1 Metabolites of 5-fluoro-8- quinoline and methods of preparation and uses thereof UGT1A8, CYP2C8, NQO1 HTR1A 196/4885

“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.