SCHEMBL6792453

SCHEMBL6792453

O=[N+]([O-])c1ccccc1N1CCN(Cc2cc3ccccc3[nH]2)CC1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 3/20 0.64
HRH4 Q9H3N8 1/20 0.56
DRD2 P14416 8/20 0.49
DRD3 P35462 5/20 0.49
HTR1A P08908 4/20 0.49
HTR2A P28223 3/20 0.47
HTR7 P34969 3/20 0.47
HTR6 P50406 3/20 0.47
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL6788458 0.88 DRD4 (0.59) DRD4HRH4DRD2DRD3HTR1A
SCHEMBL30041257 0.82 HRH4 (0.63) DRD4HRH4DRD2DRD3HTR1A
SCHEMBL6782457 0.79 HRH4 (0.63) DRD4HRH4DRD2DRD3HTR1A
SCHEMBL4810808 0.78 DRD4 (1.00) DRD4DRD2HTR1AHTR2AHTT
SCHEMBL6782261 0.76 HRH4 (0.59) HRH4DRD3KMT2A
SCHEMBL30041328 0.76 HRH4 (0.69) DRD4HRH4DRD2DRD3HTR1A
SCHEMBL4520581 0.76 KMT2A (0.61) DRD4DRD2DRD3HTR1AHTT
SCHEMBL8682915 0.76 HRH4 (0.69) DRD4HRH4DRD2DRD3HTR1A
SCHEMBL28962397 0.75 HRH4 (0.57) DRD4HRH4DRD2DRD3HTR1A
SCHEMBL24159809 0.75 HRH4 (0.54) DRD4HRH4DRD2DRD3HTR1A

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-20040198734-A1 2-(4-Aryl or heteroaryl-piperazin-1-ylmethyl)-1H-indole derivatives interacting with the dopamine PFIZER INC 2004-10-07 US disclosed
US-20030100757-A1 2-(4-aryl or heteroaryl-piperazin-1-ylmethyl)-1H-indole derivatives interacting with the dopamine D4 receptor PFIZER INC. 2003-05-29 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 (2 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-20030100757-A1 2-(4-aryl or heteroaryl-piperazin-1-ylmethyl)-1H-indole derivatives interacting with the dopamine D4 receptor DRD2, DRD3, DRD4 DRD4 3/4885HRH4 151/4885DRD2 1/4885
US-20040198734-A1 2-(4-Aryl or heteroaryl-piperazin-1-ylmethyl)-1H-indole derivatives interacting with the dopamine DRD2, DRD3, TPH1 DRD4 6/4885HRH4 344/4885DRD2 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.