SCHEMBL3564635

SCHEMBL3564635

Fc1ccc2cccnc2c1N1CCC2(CC1)OCCO2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.44
ALDH1A1 P00352 9/20 0.38
LMNA P02545 7/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
GAA P10253 2/20 0.38
MAPK1 P28482 2/20 0.38
POLB P06746 1/20 0.38
KDM4E B2RXH2 6/20 0.38
MAPT P10636 5/20 0.38
HTT P42858 4/20 0.38
TSHR P16473 4/20 0.38
HIF1A Q16665 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
GMNN O75496 1/20 0.38
TP53 P04637 1/20 0.38
HSP90AA1 P07900 1/20 0.38
MMP2 P08253 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
MMP9 P14780 1/20 0.38

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
SCHEMBL3557429 0.82 SLC6A4 (0.41) HTR1AALDH1A1LMNASMN1; SMN2GAA
SCHEMBL13437112 0.79 KDM4E (0.48) HTR1AALDH1A1LMNASMN1; SMN2GAA
SCHEMBL3622523 0.79 HTR2A (0.58) HTR1AALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL3558707 0.76 HTR1A (0.47) HTR1AALDH1A1LMNASMN1; SMN2GAA
SCHEMBL8298031 0.75 ALDH1A1 (0.46) ALDH1A1LMNASMN1; SMN2GAAMAPK1
SCHEMBL17543826 0.70 LMNA (0.48) ALDH1A1LMNASMN1; SMN2GAAMAPK1
SCHEMBL17542801 0.70 MAPK8 (0.55) ALDH1A1LMNASMN1; SMN2GAAMAPK1
SCHEMBL10609657 0.69 CYP3A4 (0.51) ALDH1A1LMNASMN1; SMN2GAAMAPK1
SCHEMBL8297011 0.69 ALDH1A1 (0.46) ALDH1A1LMNASMN1; SMN2GAAMAPK1
SCHEMBL2143856 0.68 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2GAAKDM4EHTT

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 HTR1A 4/4885ALDH1A1 752/4885LMNA 3706/4885

“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.