SCHEMBL5563370

SCHEMBL5563370

Brc1ccc(C[C@H]2CNCCN2)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.49
LTA4H P09960 1/20 0.43
PARP1 P09874 1/20 0.39
POLB P06746 1/20 0.39
HTR1D P28221 1/20 0.34
REN P00797 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL5563368 1.00 HRH3 (0.49) HRH3LTA4HPARP1POLBHTR1D
SCHEMBL27148278 0.98 HRH3 (0.48) HRH3LTA4HPARP1POLBHTR1D
SCHEMBL27148280 0.98 HRH3 (0.48) HRH3LTA4HPARP1POLBHTR1D
SCHEMBL23802786 0.83 HRH3 (0.39) HRH3POLBHTR1DMEN1KMT2A
SCHEMBL23802852 0.83 HRH3 (0.39) HRH3POLBHTR1DMEN1KMT2A
SCHEMBL4978859 0.82 HRH3 (0.49) HRH3LTA4HPARP1POLBMEN1
SCHEMBL1600792 0.82 HRH3 (0.49) HRH3LTA4HPARP1POLBREN
SCHEMBL4749981 0.82 HRH3 (0.49) HRH3LTA4HPARP1POLBTDP1
SCHEMBL5504868 0.82 HRH3 (0.49) HRH3LTA4HPARP1POLB
SCHEMBL1600790 0.82 HRH3 (0.49) HRH3LTA4HPARP1POLBREN

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 HRH3 65/4885LTA4H 3505/4885PARP1 3832/4885

“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.