SCHEMBL5557599

SCHEMBL5557599

COc1ccccc1C[C@H]1CNCCN1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 6/20 0.45
CHRNB4 P30926 1/20 0.44
CHRNA3 P32297 1/20 0.44
GNAI3 P08754 1/20 0.44
LTA4H P09960 1/20 0.42
ADRA2C P18825 1/20 0.42
SLC6A4 P31645 2/20 0.41
CYP2D6 P10635 3/20 0.41
USP2 O75604 1/20 0.41
HTR7 P34969 1/20 0.40
SLC6A3 Q01959 1/20 0.40
KCNH2 Q12809 1/20 0.40
IDO1 P14902 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
TACR1 P25103 3/20 0.40
SIGMAR1 Q99720 1/20 0.40

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
SCHEMBL5557603 1.00 SLC6A2 (0.45) SLC6A2CHRNB4CHRNA3GNAI3LTA4H
SCHEMBL21015413 0.87 IDO1 (0.47) CHRNB4CHRNA3GNAI3CYP2D6KCNH2
SCHEMBL6132916 0.87 CHRNB4 (0.39) SLC6A2CHRNB4CHRNA3LTA4HADRA2C
SCHEMBL5563239 0.85 TAAR1 (0.45) SLC6A2CHRNB4CHRNA3GNAI3KCNH2
SCHEMBL5563245 0.85 TAAR1 (0.45) SLC6A2CHRNB4CHRNA3GNAI3KCNH2
SCHEMBL13877462 0.80 CHRNB4 (0.64) CHRNB4CHRNA3TACR1
SCHEMBL18019795 0.80 CHRNB4 (0.64) CHRNB4CHRNA3TACR1
SCHEMBL18019797 0.80 CHRNB4 (0.64) CHRNB4CHRNA3TACR1
SCHEMBL7501787 0.80 LTA4H (0.41) SLC6A2LTA4HSLC6A4CYP2D6SLC6A3
SCHEMBL8137534 0.79 CYP1A2 (0.49) CHRNB4CHRNA3LTA4HSLC6A4

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 285/4885CHRNB4 41/4885CHRNA3 62/4885

“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.