SCHEMBL5563238

SCHEMBL5563238

Fc1ccccc1CC[C@H]1CNCCN1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.43
TAAR1 Q96RJ0 3/20 0.42
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
SLC6A2 P23975 2/20 0.36
SLC6A3 Q01959 2/20 0.36
HTR1A P08908 1/20 0.36
SLC6A4 P31645 1/20 0.36
AOC3 Q16853 1/20 0.36
PLG P00747 1/20 0.36
MBTPS1 Q14703 1/20 0.35
CYP2D6 P10635 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
POLB P06746 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL5563242 1.00 LTA4H (0.43) LTA4HTAAR1MAOAMAOBSLC6A2
SCHEMBL31454275 0.91 LTA4H (0.41) LTA4HTAAR1MAOAMAOBSLC6A2
SCHEMBL2246688 0.84 PLG (0.45) LTA4HTAAR1SLC6A2SLC6A3HTR1A
SCHEMBL14365307 0.82 HTR2A (0.34) LTA4HSLC6A2SLC6A3SLC6A4DPP4
SCHEMBL5558242 0.82 HTR2A (0.40) LTA4HSLC6A2SLC6A3SLC6A4KDM4E
SCHEMBL5557113 0.82 HTR2A (0.34) LTA4HSLC6A2SLC6A3SLC6A4DPP4
SCHEMBL5558234 0.82 HTR2A (0.40) LTA4HSLC6A2SLC6A3SLC6A4KDM4E
SCHEMBL5562044 0.81 TAAR1 (0.41) LTA4HTAAR1SLC6A2SLC6A3SLC6A4
SCHEMBL5562038 0.81 TAAR1 (0.41) LTA4HTAAR1SLC6A2SLC6A3SLC6A4
SCHEMBL5562402 0.81 SLC6A2 (0.43) SLC6A2SLC6A3SLC6A4CYP2D6HTR2C

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1492794-B1 PIPERAZINE SUBSTITUTED ARYL BENZODIAZEPINES AND THEIR USE AS DOPAMINE RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PSYCHOTIC DISORDERS LILLY CO ELI (US) 2007-12-12 EP disclosed
US-7214673-B2 For therapy of psychosis and bipolar disorder ELI LILLY AND COMPANY (US) 2007-05-08 US disclosed
US-20050203296-A1 For therapy of psychosis and bipolar disorder ELI LILLY AND COMPANY 2005-09-15 US disclosed
EP-1492794-A1 PIPERAZINE SUBSTITUTED ARYL BENZODIAZEPINES AND THEIR USE AS DOPAMINE RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PSYCHOTIC DISORDERS ELI LILLY AND COMPANY (US) 2005-01-05 EP disclosed
WO-2003082877-A1 PIPERAZINE SUBSTITUTED ARYL BENZODIAZEPINES AND THEIR USE AS DOPAMINE RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PSYCHOTIC DISORDERS ELI LILLY AND COMPANY (US) 2003-10-09 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-20050203296-A1 For therapy of psychosis and bipolar disorder DRD4, AFF4, DRD2 LTA4H 3505/4885TAAR1 233/4885MAOA 587/4885

“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.