SCHEMBL3557736

SCHEMBL3557736

COc1cc(N2CCN(C3CCN(c4cccc5c(C)ccnc45)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
SCHEMBL14030477 0.94 HTR1A (0.89) HTR1A
SCHEMBL3560134 0.91 HTR1A (1.00) HTR1A
SCHEMBL3557770 0.90 HTR1A (1.00) HTR1A
SCHEMBL3558848 0.87 HTR1A (1.00) HTR1A
SCHEMBL3563964 0.87 HTR1A (1.00) HTR1A
SCHEMBL3556491 0.86 HTR1A (1.00) HTR1A
SCHEMBL14030489 0.86 HTR1A (0.80) HTR1A
Hydrochloric Acid SCHEMBL4190862 0.85 HTR1A (0.98) HTR1A
Hydrochloric Acid SCHEMBL4337708 0.84 HTR1A (0.96) HTR1A
Hydrochloric Acid SCHEMBL3556285 0.84 HTR1A (0.96) 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 19 patents. 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
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
US-20080199518-A1 Controlled-release formulation of piperazine-piperidine antagonists and agonists of the 5-HT1A receptor having enhanced intestinal dissolution WYETH (US) 2008-08-21 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
WO-2008067399-A2 CONTROLLED-RELEASE MULTI-LAYER FORMULATION OF PIPERAZINE-PIPERIDINE ANTAGONISTS AND AGONISTS OF THE 5-TH1A RECEPTOR HAVING ENHANCED INTESTINAL DISSOLUTION WYETH (US) 2008-06-05 WO 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-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-2035384-A2 PROCESS FOR SYNTHESIZING PIPERAZINE-PIPERIDINE COMPOUNDS Wyeth a Corporation of the State of Delaware (US) 2009-03-18 EP disclosed
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 disclosed
US-20080199518-A1 Controlled-release formulation of piperazine-piperidine antagonists and agonists of the 5-HT1A receptor having enhanced intestinal dissolution WYETH (US) 2008-08-21 US disclosed
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 disclosed
WO-2008067399-A2 CONTROLLED-RELEASE MULTI-LAYER FORMULATION OF PIPERAZINE-PIPERIDINE ANTAGONISTS AND AGONISTS OF THE 5-TH1A RECEPTOR HAVING ENHANCED INTESTINAL DISSOLUTION WYETH (US) 2008-06-05 WO disclosed
US-20080058523-A1 Processes for synthesizing piperazine-piperidine compounds WYETH 2008-03-06 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
WO-2007146072-A2 PROCESS FOR SYNTHESIZING PIPERAZINE-PIPERIDINE COMPOUNDS 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
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 (4 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-20080058523-A1 Processes for synthesizing piperazine-piperidine compounds HTR5A, HTR2A, HTR1A HTR1A 3/4885
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-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-20080199518-A1 Controlled-release formulation of piperazine-piperidine antagonists and agonists of the 5-HT1A receptor having enhanced intestinal dissolution HTR5A, HTR2C, HTR2A HTR1A 5/4885

“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.