SCHEMBL4513849

SCHEMBL4513849

O=C(NCCCCN1CCN(c2cccc3ccccc23)CC1)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 12/20 1.00
DRD2 P14416 9/20 1.00
HTR1A P08908 4/20 1.00
HTR2A P28223 4/20 1.00
HTR2C P28335 3/20 1.00
DRD4 P21917 5/20 0.76

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
Hydrochloric Acid SCHEMBL7593292 0.87 DRD2 (0.77) DRD3DRD2HTR1AHTR2AHTR2C
Hydrochloric Acid SCHEMBL7350351 0.87 DRD2 (0.76) DRD3DRD2HTR1AHTR2AHTR2C
SCHEMBL1727824 0.86 DRD3 (0.75) DRD3DRD2HTR1AHTR2AHTR2C
SCHEMBL7765356 0.84 DRD2 (0.76) DRD3DRD2HTR1AHTR2AHTR2C
Hydrochloric Acid SCHEMBL7425615 0.84 DRD2 (0.73) DRD3DRD2HTR1AHTR2AHTR2C
SCHEMBL7132544 0.84 DRD2 (0.74) DRD3DRD2HTR1AHTR2AHTR2C
Hydrochloric Acid SCHEMBL7429596 0.83 DRD2 (0.71) DRD3DRD2HTR1AHTR2AHTR2C
Hydrochloric Acid SCHEMBL7445503 0.83 DRD2 (0.71) DRD3DRD2HTR1AHTR2AHTR2C
SCHEMBL7766194 0.83 DRD2 (0.76) DRD3DRD2HTR1AHTR2AHTR2C
SCHEMBL7913324 0.83 DRD2 (0.71) DRD3DRD2HTR1AHTR2AHTR2C

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 6 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 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
CN-101137645-A Arylpiperazine derivatives for the treatment of neuropsychiatric disorders UNIV SIENA (IT) 2008-03-05 CN disclosed
EP-1836192-A2 ARYL PIPERAZINE DERIVATIVES FOR THE TREATMENT OF NEUROPSYCHIATRIC DISORDERS Universita' Degli Studi di Siena (IT) 2007-09-26 EP disclosed
WO-2006072608-A2 ARYL PIPERAZINE DERIVATIVES FOR THE TREATMENT OF NEUROPSYCHIATRIC DISORDERS UNIVERSITÁ DEGLI STUDI DI SIENA (IT) 2006-07-13 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-20090238761-A1 Novel Aryl Piperazine Derivatives With Medical Utility HTR2C, HTR2A, DRD2 DRD3 10/4885DRD2 3/4885HTR1A 15/4885

“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.