SCHEMBL4525593

SCHEMBL4525593

O=C(NCCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1)c1cc2ccccc2[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 17/20 1.00
DRD3 P35462 17/20 1.00
HTR2A P28223 6/20 1.00
HTR1A P08908 5/20 1.00
HTR2C P28335 3/20 1.00
ADRA1A P35348 2/20 0.70
DRD4 P21917 4/20 0.64
HRH4 Q9H3N8 1/20 0.56

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
SCHEMBL27015441 0.94 DRD3 (0.88) DRD2DRD3HTR2AHTR1AHTR2C
SCHEMBL27893172 0.85 DRD3 (0.73) DRD2DRD3HTR2AHTR1AHTR2C
SCHEMBL7057796 0.83 DRD3 (0.71) DRD2DRD3HTR2AHTR1AHTR2C
SCHEMBL7053778 0.81 DRD2 (0.76) DRD2DRD3HTR2AHTR1AHTR2C
SCHEMBL14761629 0.79 DRD3 (0.80) DRD2DRD3HTR2AHTR1AHTR2C
SCHEMBL7051897 0.79 DRD2 (0.69) DRD2DRD3HTR2AHTR1AHTR2C
SCHEMBL16461861 0.78 DRD2 (1.00) DRD2DRD3HTR2AHTR1AHTR2C
SCHEMBL21802150 0.78 DRD3 (1.00) DRD2DRD3HTR2AHTR1AHTR2C
SCHEMBL7058045 0.78 DRD2 (0.75) DRD2DRD3HTR2AHTR1AHTR2C
SCHEMBL14006089 0.78 KDM4E (0.85) DRD2DRD3HTR2AHTR1AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090238761-A1 Novel Aryl Piperazine Derivatives With Medical Utility UNIVERSITA DEGLI STUDI DI SIENA (IT) 2009-09-24 US claimed
US-20090238761-A1 Novel Aryl Piperazine Derivatives With Medical Utility UNIVERSITA DEGLI STUDI DI SIENA (IT) 2009-09-24 US disclosed
US-20090238761-A1 Novel Aryl Piperazine Derivatives With Medical Utility UNIVERSITA DEGLI STUDI DI SIENA (IT) 2009-09-24 US disclosed
US-20090238761-A1 Novel Aryl Piperazine Derivatives With Medical Utility UNIVERSITA DEGLI STUDI DI SIENA (IT) 2009-09-24 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-20090238761-A1 Novel Aryl Piperazine Derivatives With Medical Utility HTR2C, HTR2A, DRD2 DRD2 3/4885DRD3 10/4885HTR2A 2/4885

“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.