SCHEMBL5562402

SCHEMBL5562402

FC(F)(F)c1ccccc1CCC1CNCCN1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 18/20 0.43
SLC6A4 P31645 18/20 0.43
SLC6A3 Q01959 4/20 0.43
CYP2D6 P10635 1/20 0.43
KCNH2 Q12809 1/20 0.43
HTR2C P28335 1/20 0.39

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
SCHEMBL5562399 1.00 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL28175982 0.85 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL5563238 0.81 LTA4H (0.43) SLC6A2SLC6A4SLC6A3CYP2D6HTR2C
SCHEMBL5563242 0.81 LTA4H (0.43) SLC6A2SLC6A4SLC6A3CYP2D6HTR2C
SCHEMBL5562044 0.78 TAAR1 (0.41) SLC6A2SLC6A4SLC6A3KCNH2HTR2C
SCHEMBL5562038 0.78 TAAR1 (0.41) SLC6A2SLC6A4SLC6A3KCNH2HTR2C
SCHEMBL5562778 0.77 CYP2D6 (0.54) SLC6A2SLC6A4CYP2D6
SCHEMBL5562773 0.77 CYP2D6 (0.54) SLC6A2SLC6A4CYP2D6
SCHEMBL27158577 0.76 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL27158374 0.76 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2

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 SLC6A2 285/4885SLC6A4 168/4885SLC6A3 45/4885

“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.