SCHEMBL1039928

SCHEMBL1039928

O=C(NCCCCN1CCN(c2ccccc2)CC1)c1ccc2ncccc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 12/20 1.00
HTR1A P08908 6/20 1.00
HTR2A P28223 5/20 1.00
ADRA1A P35348 5/20 1.00
ADRA2A P08913 1/20 1.00
ADRA2B P18089 1/20 1.00
ADRA2C P18825 1/20 1.00
ADRA1D P25100 1/20 1.00
HRH1 P35367 1/20 1.00
ADRA1B P35368 1/20 1.00
KCNH2 Q12809 1/20 1.00
DRD2 P14416 6/20 0.69
SLC6A4 P31645 3/20 0.62
HTR2C P28335 1/20 0.62
SLC6A2 P23975 1/20 0.61

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
SCHEMBL7432969 0.87 DRD3 (1.00) DRD3HTR1AHTR2AADRA1AADRA2A
SCHEMBL1077884 0.83 DRD3 (0.71) DRD3HTR1AHTR2AADRA1AADRA2A
SCHEMBL13382896 0.82 DRD3 (0.69) DRD3HTR1AHTR2AADRA1AADRA2A
SCHEMBL4519092 0.82 DRD3 (1.00) DRD3HTR1AHTR2AADRA1AADRA2A
SCHEMBL31061220 0.81 DRD3 (0.84) DRD3HTR1AHTR2ADRD2HTR2C
SCHEMBL3265653 0.80 DRD3 (0.67) DRD3HTR1AHTR2AADRA1AADRA2A
SCHEMBL1039929 0.80 DRD3 (0.67) DRD3HTR1AHTR2AADRA1AADRA2A
SCHEMBL4533987 0.80 SLC6A4 (0.72) DRD3HTR1AHTR2AADRA1AADRA2A
SCHEMBL4527831 0.79 DRD3 (1.00) DRD3HTR1AHTR2AADRA1AADRA2A
SCHEMBL4523269 0.79 HTR1A (1.00) DRD3HTR1AHTR2AHTR2C

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2081907-B1 ARYL PIPERAZINE DERIVATIVES USEFUL FOR THE TREATMENT OF NEUROPSYCHIATRY DISORDERS UNIV SIENA (IT) 2011-01-26 EP claimed
US-20100087445-A1 ARYL PIPERAZINE DERIVATIVES USEFUL FOR THE TREATMENT OF NEUROPSYCHIATRY DISORDERS UNIVERSITA DEGLI STUDI DI SIENA (IT) 2010-04-08 US claimed
EP-2081907-B1 ARYL PIPERAZINE DERIVATIVES USEFUL FOR THE TREATMENT OF NEUROPSYCHIATRY DISORDERS UNIV SIENA (IT) 2011-01-26 EP disclosed
EP-2081907-B1 ARYL PIPERAZINE DERIVATIVES USEFUL FOR THE TREATMENT OF NEUROPSYCHIATRY DISORDERS UNIV SIENA (IT) 2011-01-26 EP disclosed
US-20100087445-A1 ARYL PIPERAZINE DERIVATIVES USEFUL FOR THE TREATMENT OF NEUROPSYCHIATRY DISORDERS UNIVERSITA DEGLI STUDI DI SIENA (IT) 2010-04-08 US disclosed
US-20100087445-A1 ARYL PIPERAZINE DERIVATIVES USEFUL FOR THE TREATMENT OF NEUROPSYCHIATRY DISORDERS UNIVERSITA DEGLI STUDI DI SIENA (IT) 2010-04-08 US disclosed
US-20100087445-A1 ARYL PIPERAZINE DERIVATIVES USEFUL FOR THE TREATMENT OF NEUROPSYCHIATRY DISORDERS UNIVERSITA DEGLI STUDI DI SIENA (IT) 2010-04-08 US 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-20100087445-A1 ARYL PIPERAZINE DERIVATIVES USEFUL FOR THE TREATMENT OF NEUROPSYCHIATRY DISORDERS HTR2A, HTR3A, HTR2C DRD3 14/4885HTR1A 4/4885HTR2A 1/4885

“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.