SCHEMBL3556792

SCHEMBL3556792

COc1ccccc1N1CCN(C2CCNCC2)CC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.68
DRD3 P35462 3/20 0.68
HTR3E A5X5Y0 1/20 0.68
HTR3B O95264 1/20 0.68
ADRB1 P08588 1/20 0.68
CYP2C19 P33261 1/20 0.68
HTR3A P46098 1/20 0.68
HTR6 P50406 1/20 0.68
HTR3D Q70Z44 1/20 0.68
HTR3C Q8WXA8 1/20 0.68
SIGMAR1 Q99720 1/20 0.68
LMNA P02545 1/20 0.66
MAPT P10636 1/20 0.66
ALDH1A1 P00352 4/20 0.64
KDM4E B2RXH2 6/20 0.60
HTR1A P08908 2/20 0.59
ADRA1D P25100 1/20 0.59
ADRA1A P35348 1/20 0.59
ADRA1B P35368 1/20 0.59
HTT P42858 1/20 0.56

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
SCHEMBL8189587 0.85 ALDH1A1 (0.63) DRD2DRD3HTR3EHTR3BADRB1
SCHEMBL3704117 0.82 KDM4E (0.63) DRD2DRD3ALDH1A1KDM4EHTR1A
SCHEMBL6635193 0.82 KDM4E (0.62) DRD2DRD3MAPTALDH1A1KDM4E
SCHEMBL29396943 0.81 HTR3A (1.00) DRD2DRD3HTR3EHTR3BADRB1
SCHEMBL6366499 0.81 HTR3A (1.00) DRD2DRD3HTR3EHTR3BADRB1
SCHEMBL379 0.81 HTR3A (1.00) DRD2DRD3HTR3EHTR3BADRB1
SCHEMBL26418370 0.81 DRD2 (0.71) DRD2DRD3HTR3EHTR3BADRB1
SCHEMBL14529139 0.81 ALDH1A1 (0.64) DRD2DRD3HTR3EHTR3BADRB1
SCHEMBL3710253 0.81 ADRB1 (0.65) ADRB1HTR3AHTR1A
SCHEMBL8764013 0.81 KDM4E (0.84) DRD2DRD3ALDH1A1KDM4EHTR1A

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 8 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 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
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
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 (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-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 DRD2 22/4885DRD3 36/4885HTR3E 18/4885

“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.