SCHEMBL3566951

SCHEMBL3566951

COc1ccc(N2CCNCC2)c2ncccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.58
HTR6 P50406 3/20 0.56
HTR3E A5X5Y0 2/20 0.56
HTR3B O95264 2/20 0.56
HTR3A P46098 2/20 0.56
HTR3D Q70Z44 2/20 0.56
HTR3C Q8WXA8 2/20 0.56
ADRB1 P08588 1/20 0.56
DRD2 P14416 1/20 0.56
CYP2C19 P33261 1/20 0.56
DRD3 P35462 1/20 0.56
SIGMAR1 Q99720 1/20 0.56
HTR2A P28223 1/20 0.56
HTR2C P28335 1/20 0.56
SLC6A4 P31645 1/20 0.56
NCF1 P14598 4/20 0.55
LMNA P02545 1/20 0.55
ADRB2 P07550 1/20 0.49
HTR7 P34969 2/20 0.48
HTR1A P08908 1/20 0.47

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
SCHEMBL6642509 0.83 HTR6 (0.52) MAPTHTR6HTR3EHTR3BHTR3A
SCHEMBL6637479 0.82 G6PD (0.55) MAPTHTR6HTR3EHTR3BHTR3A
SCHEMBL4895338 0.80 HTR6 (0.66) MAPTHTR6HTR3EHTR3BHTR3A
SCHEMBL27732003 0.79 MAPT (0.62) MAPTHTR6HTR2AHTR2CSLC6A4
SCHEMBL3559935 0.79 MAPT (0.62) MAPTHTR6ADRB1DRD2DRD3
SCHEMBL3566110 0.79 MAPT (0.62) MAPTHTR6HTR2AHTR2CSLC6A4
SCHEMBL6637406 0.78 NCF1 (0.52) MAPTHTR6HTR3EHTR3BHTR3A
SCHEMBL3563724 0.77 NCF1 (0.66) MAPTHTR6ADRB1HTR2AHTR2C
SCHEMBL15161248 0.76 NCF1 (0.58) MAPTHTR6HTR3EHTR3BHTR3A
SCHEMBL6636871 0.76 HTR2C (0.56) MAPTHTR6HTR3EHTR3BHTR3A

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 MAPT 972/4885HTR6 16/4885HTR3E 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.