SCHEMBL5563239

SCHEMBL5563239

COc1ccccc1CC[C@H]1CNCCN1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.45
SIGMAR1 Q99720 1/20 0.44
KCNH2 Q12809 1/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
HRH3 Q9Y5N1 1/20 0.42
GNAI3 P08754 1/20 0.42
SLC6A2 P23975 3/20 0.41
AOC3 Q16853 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL5563245 1.00 TAAR1 (0.45) TAAR1SIGMAR1KCNH2CHRNB4CHRNA3
SCHEMBL5557599 0.85 SLC6A2 (0.45) TAAR1SIGMAR1KCNH2CHRNB4CHRNA3
SCHEMBL5557603 0.85 SLC6A2 (0.45) TAAR1SIGMAR1KCNH2CHRNB4CHRNA3
SCHEMBL8792312 0.81 CHRNB4 (0.61) SIGMAR1KCNH2CHRNB4CHRNA3HRH3
SCHEMBL1474815 0.78 GNAI3 (0.49) TAAR1SIGMAR1KCNH2GNAI3SLC6A2
SCHEMBL5563238 0.78 LTA4H (0.43) TAAR1SLC6A2AOC3ALDH1A1
SCHEMBL5562038 0.78 TAAR1 (0.41) TAAR1KCNH2SLC6A2AOC3
SCHEMBL5563242 0.78 LTA4H (0.43) TAAR1SLC6A2AOC3ALDH1A1
SCHEMBL5562044 0.78 TAAR1 (0.41) TAAR1KCNH2SLC6A2AOC3
SCHEMBL5562773 0.77 CYP2D6 (0.54) TAAR1SLC6A2

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 TAAR1 233/4885SIGMAR1 61/4885KCNH2 657/4885

“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.