SCHEMBL3559472

SCHEMBL3559472

c1cnc2c(N3CCN(C4CCCCN4c4cccc5cccnc45)CC3)cccc2c1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.52
HTR2C P28335 1/20 0.52
SLC6A4 P31645 1/20 0.52
HTR1A P08908 15/20 0.51
ADRA1A P35348 3/20 0.43
HRH1 P35367 3/20 0.43
ADRA1B P35368 3/20 0.43
KCNH2 Q12809 3/20 0.43
HRH3 Q9Y5N1 3/20 0.43
ALOX15 P16050 1/20 0.40
DRD2 P14416 2/20 0.40
NOS3 P29474 1/20 0.40
NOS1 P29475 1/20 0.40
HTR7 P34969 1/20 0.40
HTR6 P50406 1/20 0.40

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
Hydrochloric Acid SCHEMBL5696387 0.82 HTR1A (0.64) HTR2AHTR2CSLC6A4HTR1A
SCHEMBL29746904 0.79 HTR2A (0.73) HTR2AHTR2CSLC6A4HTR1AADRA1A
SCHEMBL8961462 0.79 HTR2A (0.73) HTR2AHTR2CSLC6A4HTR1AADRA1A
SCHEMBL3556889 0.79 HTR1A (0.74) HTR2AHTR2CSLC6A4HTR1AHRH3
SCHEMBL9673340 0.78 HTR2A (0.71) HTR2AHTR2CSLC6A4HTR1AADRA1A
SCHEMBL13772684 0.72 HTR2A (0.67) HTR2AHTR2CSLC6A4HTR1AADRA1A
SCHEMBL3557468 0.72 HTR1A (0.79) HTR2AHTR2CSLC6A4HTR1A
SCHEMBL2539338 0.71 HTR2A (0.53) HTR2AHTR2CSLC6A4HTR1AADRA1A
SCHEMBL3558267 0.71 HTR1A (0.74) HTR1A
SCHEMBL12932459 0.70 HTR2A (0.60) HTR2AHTR2CSLC6A4HTR1AADRA1A

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 2 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-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

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 6/4885HTR2C 2/4885SLC6A4 56/4885

“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.