SCHEMBL3565769

SCHEMBL3565769

O=C1CCN(c2cccc3cccnc23)CC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.65
SLC6A4 P31645 2/20 0.65
HTR2C P28335 1/20 0.65
HTR1A P08908 6/20 0.49
HTR6 P50406 4/20 0.49
DRD2 P14416 4/20 0.49
HTR7 P34969 3/20 0.49
TSHR P16473 2/20 0.49
ESR2 Q92731 1/20 0.49
ALDH1A1 P00352 4/20 0.47
GAA P10253 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
HPGD P15428 1/20 0.47
CYP2C19 P33261 1/20 0.47
LMNA P02545 1/20 0.46
PRMT5 O14744 1/20 0.45
KMT2A Q03164 1/20 0.44
NOS3 P29474 1/20 0.44
NOS1 P29475 1/20 0.44

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
SCHEMBL29746904 0.83 HTR2A (0.73) HTR2ASLC6A4HTR2CHTR1AHTR6
SCHEMBL8961462 0.83 HTR2A (0.73) HTR2ASLC6A4HTR2CHTR1AHTR6
SCHEMBL13772684 0.82 HTR2A (0.67) HTR2ASLC6A4HTR2CHTR1AHTR6
SCHEMBL3561305 0.82 HTR2A (0.44) HTR2ASLC6A4HTR2CHTR1AHTR6
SCHEMBL9673340 0.81 HTR2A (0.71) HTR2ASLC6A4HTR2CHTR1AHTR6
SCHEMBL3560829 0.81 SLC6A4 (0.43) HTR2ASLC6A4HTR2CHTR1AHTR6
SCHEMBL1045944 0.79 HTR2A (1.00) HTR2ASLC6A4HTR2CHTR1AHTR6
Hydrochloric Acid SCHEMBL1048620 0.77 HTR2A (0.97) HTR2ASLC6A4HTR2CHTR1AHTR6
SCHEMBL2217096 0.77 HTR2A (0.60) HTR2ASLC6A4HTR2CHTR1AHTR6
SCHEMBL31674414 0.77 LMNA (0.48) HTR2ASLC6A4HTR2CHTR1AALDH1A1

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 HTR2A 6/4885SLC6A4 56/4885HTR2C 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.