SCHEMBL5564360

SCHEMBL5564360

c1ccc(CN2CCN(Cc3ccccc3)C(CCc3ccccn3)C2)cc1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.62
POLB P06746 2/20 0.62
SIGMAR1 Q99720 4/20 0.54
LMNA P02545 3/20 0.52
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
HTT P42858 1/20 0.48

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
SCHEMBL5558858 1.00 ALDH1A1 (0.62) ALDH1A1POLBSIGMAR1LMNAMEN1
SCHEMBL5557553 0.84 SIGMAR1 (0.68) ALDH1A1POLBSIGMAR1LMNAMEN1
SCHEMBL5557549 0.84 SIGMAR1 (0.68) ALDH1A1POLBSIGMAR1LMNAMEN1
SCHEMBL5556907 0.82 SIGMAR1 (0.60) ALDH1A1POLBSIGMAR1LMNAMEN1
SCHEMBL5556913 0.82 SIGMAR1 (0.60) ALDH1A1POLBSIGMAR1LMNAMEN1
SCHEMBL5557798 0.80 KMT2A (0.55) ALDH1A1POLBSIGMAR1LMNAMEN1
SCHEMBL5557786 0.80 KMT2A (0.55) ALDH1A1POLBSIGMAR1LMNAMEN1
SCHEMBL5558029 0.78 SIGMAR1 (0.61) ALDH1A1POLBSIGMAR1LMNAMEN1
SCHEMBL5558033 0.78 SIGMAR1 (0.61) ALDH1A1POLBSIGMAR1LMNAMEN1
SCHEMBL8944676 0.77 SIGMAR1 (0.51) ALDH1A1POLBSIGMAR1LMNAMEN1

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 ALDH1A1 2465/4885POLB 3288/4885SIGMAR1 61/4885

“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.