SCHEMBL3560829

SCHEMBL3560829

O=C1CCN(c2cc(Cl)cc3cccnc23)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
LMNA P02545 2/20 0.41
HTR6 P50406 2/20 0.41
SLC40A1 Q9NP59 1/20 0.40
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
HTR1A P08908 6/20 0.39
CCR1 P32246 1/20 0.39
CCR8 P51685 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 2/20 0.38
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
P2RX7 Q99572 1/20 0.36
TSHR P16473 1/20 0.36
ESR2 Q92731 1/20 0.36

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
SCHEMBL3557055 0.82 HTR2A (0.67) SLC6A4HTR2AHTR2CHTR6MAPT
SCHEMBL3565769 0.81 HTR2A (0.65) SLC6A4HTR2AHTR2CLMNAHTR6
SCHEMBL3557276 0.77 HTR1A (0.64) HTR1A
SCHEMBL31674414 0.74 LMNA (0.48) SLC6A4HTR2AHTR2CLMNAMAPT
SCHEMBL3557049 0.74 HTR1A (0.71) HTR1A
SCHEMBL3573288 0.74 HTR1A (0.41) SLC6A4HTR2AHTR2CLMNATP53
SCHEMBL3561305 0.73 HTR2A (0.44) SLC6A4HTR2AHTR2CLMNAHTR6
SCHEMBL3558251 0.73 HTR1A (0.72) SLC6A4HTR1A
SCHEMBL3557751 0.70 KDM4E (0.50) LMNASLC40A1MAPTHTR1AL3MBTL1
SCHEMBL3558707 0.70 HTR1A (0.47) SLC6A4HTR2AHTR2CLMNASLC40A1

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 9 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
CN-101243073-A Piperazine-piperidine antagonists and agonists of the 5-HT1A receptor WYETH CORP (US) 2008-08-13 CN 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 SLC6A4 56/4885HTR2A 6/4885HTR2C 2/4885

“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.