SCHEMBL3563724

SCHEMBL3563724

FC(F)(F)c1ccc(N2CCNCC2)c2ncccc12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 3/20 0.66
MAPT P10636 5/20 0.60
EPHX2 P34913 1/20 0.59
HTR2A P28223 1/20 0.57
HTR2C P28335 1/20 0.57
SLC6A4 P31645 1/20 0.57
ADRB2 P07550 4/20 0.47
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 1/20 0.44
TNNI3 P19429 1/20 0.44
TNNT2 P45379 1/20 0.44
TNNC1 P63316 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 3/20 0.43
MAPK1 P28482 2/20 0.43
KDM4E B2RXH2 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ADRB1 P08588 2/20 0.43
HTR7 P34969 1/20 0.43

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
SCHEMBL3566110 0.83 MAPT (0.62) NCF1MAPTEPHX2HTR2AHTR2C
SCHEMBL30735843 0.81 HTR6 (0.59) NCF1EPHX2HTR2AADRB2CYP1A2
SCHEMBL19284573 0.81 HTR6 (0.59) NCF1EPHX2HTR2AADRB2CYP1A2
SCHEMBL27732003 0.80 MAPT (0.62) NCF1MAPTHTR2AHTR2CSLC6A4
SCHEMBL3559935 0.80 MAPT (0.62) NCF1MAPTHTR2AHTR2CSLC6A4
SCHEMBL2947933 0.80 NCF1 (1.00) NCF1MAPTEPHX2HTR2AHTR2C
SCHEMBL27711755 0.79 TRPV1 (0.49) NCF1MAPTTNNI3TNNT2TNNC1
SCHEMBL28710430 0.77 NCF1 (0.58) NCF1MAPTEPHX2HTR2AHTR2C
SCHEMBL3566951 0.77 MAPT (0.58) NCF1MAPTHTR2AHTR2CSLC6A4
SCHEMBL233710 0.75 EPHX2 (1.00) NCF1MAPTEPHX2

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 NCF1 3837/4885MAPT 972/4885EPHX2 2872/4885

“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.