SCHEMBL4253499

SCHEMBL4253499

CCOC(=O)CCCN1C(=O)COc2ccc(OCCCCN3CCN(c4ccccc4OC)CC3)cc21

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 12/20 0.61
HTR2A P28223 4/20 0.61
MCHR1 Q99705 1/20 0.61
HTR1A P08908 2/20 0.60
DRD3 P35462 8/20 0.53
HTR7 P34969 2/20 0.53
SLC6A2 P23975 2/20 0.53
SLC6A4 P31645 2/20 0.53
DRD5 P21918 1/20 0.53
KCNH2 Q12809 1/20 0.53
DRD4 P21917 6/20 0.52
DRD1 P21728 1/20 0.52
ADRA1A P35348 2/20 0.52

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 SCHEMBL4257351 0.99 DRD2 (0.61) DRD2HTR2AMCHR1HTR1ADRD3
SCHEMBL4261632 0.87 DRD2 (0.59) DRD2HTR2AMCHR1HTR1ADRD3
Hydrochloric Acid SCHEMBL4255247 0.87 DRD2 (0.58) DRD2HTR2AMCHR1HTR1ADRD3
SCHEMBL4258732 0.82 USP2 (0.53)
SCHEMBL8153404 0.81 USP2 (0.54) DRD2HTR2AHTR1ADRD3HTR7
SCHEMBL4258259 0.80 DRD2 (0.60) DRD2HTR2AMCHR1HTR1ADRD3
SCHEMBL4249939 0.80 DRD2 (0.74) DRD2HTR2AHTR1ADRD3HTR7
SCHEMBL1491170 0.79 DRD2 (0.67) DRD2HTR2AHTR1ADRD3HTR7
Hydrochloric Acid SCHEMBL4253960 0.79 DRD2 (0.60) DRD2HTR2AMCHR1HTR1ADRD3
Hydrochloric Acid SCHEMBL4259307 0.79 DRD2 (0.73) DRD2HTR2AHTR1ADRD3HTR7

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-8207163-B2 Compositions, synthesis, and methods of using piperazine based antipsychotic agents REVIVA PHARMACEUTICALS, INC. (US) 2012-06-26 US disclosed
US-20090298819-A1 Compositions, Synthesis, And Methods Of Using Piperazine Based Antipsychotic Agents REVIVA PHARMACEUTICALS, INC. (US) 2009-12-03 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-20090298819-A1 Compositions, Synthesis, And Methods Of Using Piperazine Based Antipsychotic Agents GRIK5, GAP43, GRIN2D DRD2 33/4885HTR2A 41/4885MCHR1 713/4885

“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.