SCHEMBL6788458

SCHEMBL6788458

O=[N+]([O-])c1ccccc1N1CCN(Cc2cc3cc(F)ccc3[nH]2)CC1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 6/20 0.59
DRD2 P14416 5/20 0.59
DRD3 P35462 5/20 0.59
HTR1A P08908 2/20 0.59
ADRA2A P08913 1/20 0.59
ADRA2B P18089 1/20 0.59
ADRA2C P18825 1/20 0.59
OPRK1 P41145 1/20 0.59
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
HRH4 Q9H3N8 1/20 0.43
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL6792453 0.88 DRD4 (0.64) DRD4DRD2DRD3HTR1AHRH4
SCHEMBL6793112 0.81 DRD2 (0.63) DRD4DRD2DRD3HTR1AADRA2A
SCHEMBL6787958 0.78 KMT2A (0.59) HRH4KMT2A
SCHEMBL4823536 0.76 DRD4 (0.59) DRD4DRD2DRD3HTR1AADRA2A
SCHEMBL6793465 0.76 DRD4 (0.76) DRD4DRD2DRD3HTR1AADRA2A
SCHEMBL6793139 0.74 DRD4 (0.77) DRD4DRD2DRD3HTR1AADRA2A
SCHEMBL21684646 0.74 ALDH1A1 (0.58) DRD4DRD2DRD3HTR1AADRA2A
SCHEMBL4814827 0.74 DRD4 (1.00) DRD4DRD2DRD3HTR1AADRA2A
SCHEMBL4810808 0.72 DRD4 (1.00) DRD4DRD2HTR1AGAAHTT
SCHEMBL4520581 0.72 KMT2A (0.61) DRD4DRD2DRD3HTR1AALDH1A1

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 3/4885DRD2 1/4885DRD3 2/4885
US-20040198734-A1 2-(4-Aryl or heteroaryl-piperazin-1-ylmethyl)-1H-indole derivatives interacting with the dopamine DRD2, DRD3, TPH1 DRD4 6/4885DRD2 1/4885DRD3 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.