SCHEMBL4887353

SCHEMBL4887353

O=C1CCc2ccc(C(=O)OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2N1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 20/20 0.74
HTR1A P08908 7/20 0.74
HTR2A P28223 7/20 0.74
DRD3 P35462 4/20 0.74
DRD1 P21728 3/20 0.74
DRD4 P21917 3/20 0.74
DRD5 P21918 3/20 0.74
HTR2C P28335 3/20 0.74
HTR2B P41595 3/20 0.74
HTR3E A5X5Y0 1/20 0.74
MEN1 O00255 1/20 0.74
MLNR O43193 1/20 0.74
HTR3B O95264 1/20 0.74
ABCB11 O95342 1/20 0.74
ESR1 P03372 1/20 0.74
PGR P06401 1/20 0.74
ADRB2 P07550 1/20 0.74
CHRM2 P08172 1/20 0.74
ABCB1 P08183 1/20 0.74
ADRB1 P08588 1/20 0.74

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 SCHEMBL4884864 0.99 DRD2 (0.73) DRD2HTR1AHTR2ADRD3DRD1
SCHEMBL4879714 0.97 DRD2 (0.73) DRD2HTR1AHTR2ADRD3DRD1
Hydrochloric Acid SCHEMBL3161359 0.97 DRD2 (0.72) DRD2HTR1AHTR2ADRD3DRD1
Aripiprazole SCHEMBL29438823 0.85 DRD2 (1.00) DRD2HTR1AHTR2ADRD3DRD1
Aripiprazole SCHEMBL982189 0.85 DRD2 (1.00) DRD2HTR1AHTR2ADRD3DRD1
Aripiprazole SCHEMBL29475638 0.85 DRD2 (1.00) DRD2HTR1AHTR2ADRD3DRD1
Aripiprazole SCHEMBL29356997 0.85 DRD2 (1.00) DRD2HTR1AHTR2ADRD3DRD1
Aripiprazole SCHEMBL8255 0.85 DRD2 (1.00) DRD2HTR1AHTR2ADRD3DRD1
Aripiprazole SCHEMBL29475637 0.85 DRD2 (1.00) DRD2HTR1AHTR2ADRD3DRD1
SCHEMBL3158238 0.85 DRD2 (0.74) DRD2DRD3DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8247420-B2 Compositions, synthesis, and methods of using quinolinone based atypical antipsychotic agents REVIVA PHARMACEUTICALS, INC. (US) 2012-08-21 US disclosed
US-20080293736-A1 Compositions, Synthesis, and Methods of Using Quinolinone Based Atypical Antipsychotic Agents REVIVA PHARMACEUTICALS, INC. (US) 2008-11-27 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-20080293736-A1 Compositions, Synthesis, and Methods of Using Quinolinone Based Atypical Antipsychotic Agents GRIN2D, GRIN2C, AP3D1 DRD2 26/4885HTR1A 77/4885HTR2A 32/4885

“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.