SCHEMBL5557978

SCHEMBL5557978

COc1cccc(CC[C@H]2CNCCN2)c1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EED O75530 1/20 0.52
CHRM2 P08172 1/20 0.49
CHRM1 P11229 1/20 0.49
CHRM3 P20309 1/20 0.49
TAAR1 Q96RJ0 1/20 0.48
SIGMAR1 Q99720 1/20 0.47
HRH3 Q9Y5N1 1/20 0.45
LTA4H P09960 1/20 0.44
AOC3 Q16853 1/20 0.43
HTR2C P28335 1/20 0.43
SLC6A4 P31645 1/20 0.43
HTR2B P41595 1/20 0.43

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
SCHEMBL5557983 1.00 EED (0.52) EEDCHRM2CHRM1CHRM3TAAR1
SCHEMBL2250418 0.86 EED (0.61) EEDCHRM2CHRM1CHRM3TAAR1
SCHEMBL17101 0.86 EED (0.61) EEDCHRM2CHRM1CHRM3TAAR1
SCHEMBL5558417 0.83 LTA4H (0.48) TAAR1SIGMAR1HRH3LTA4H
SCHEMBL5557188 0.83 LTA4H (0.48) TAAR1SIGMAR1HRH3LTA4H
SCHEMBL27599464 0.80 EED (0.64) EEDCHRM2CHRM1CHRM3TAAR1
SCHEMBL21095600 0.79 ABCB1 (0.59)
SCHEMBL21095171 0.79 ABCB1 (0.59)
SCHEMBL21095169 0.79 ABCB1 (0.59)
SCHEMBL5562379 0.79 TAAR1 (0.44) TAAR1LTA4HAOC3HTR2CSLC6A4

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 EED 1421/4885CHRM2 186/4885CHRM1 203/4885

“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.