SCHEMBL6788620

SCHEMBL6788620

Fc1ccc2[nH]c(CN3CCN(c4ccc(Cl)nn4)CC3)cc2c1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 7/20 0.65
DRD2 P14416 6/20 0.65
DRD3 P35462 6/20 0.65
HTR1A P08908 1/20 0.65
ADRA2A P08913 1/20 0.65
ADRA2B P18089 1/20 0.65
ADRA2C P18825 1/20 0.65
OPRK1 P41145 1/20 0.65
PARP1 P09874 2/20 0.44
TNK1 Q13470 2/20 0.44
TNK2 Q07912 1/20 0.42
BPTF Q12830 1/20 0.42
IDO1 P14902 5/20 0.41
CYP1A2 P05177 1/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
TDO2 P48775 1/20 0.40
HRH4 Q9H3N8 1/20 0.40

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
SCHEMBL4814827 0.79 DRD4 (1.00) DRD4DRD2DRD3HTR1AADRA2A
SCHEMBL6793465 0.78 DRD4 (0.76) DRD4DRD2DRD3HTR1AADRA2A
SCHEMBL6793139 0.77 DRD4 (0.77) DRD4DRD2DRD3HTR1AADRA2A
SCHEMBL4817050 0.75 DRD4 (0.92) DRD4DRD2DRD3HTR1AADRA2A
SCHEMBL6793112 0.72 DRD2 (0.63) DRD4DRD2DRD3HTR1AADRA2A
Fumaric Acid SCHEMBL4824588 0.72 DRD4 (0.83) DRD4DRD2DRD3HTR1AADRA2A
Maleic Acid SCHEMBL4824577 0.72 DRD4 (0.83) DRD4DRD2DRD3HTR1AADRA2A
SCHEMBL6781864 0.70 DRD2 (0.58) DRD4DRD2DRD3HTR1AADRA2A
SCHEMBL23964198 0.70 DRD3 (0.53) DRD4DRD2DRD3HTR1AADRA2A
SCHEMBL4824354 0.70 DRD2 (0.55) DRD4DRD2DRD3HTR1AADRA2A

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 16 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 claimed
US-20040116443-A1 Dopamine D4 ligands for the treatment of novelty-seeking disorders PFIZER INC 2004-06-17 US claimed
US-20030158208-A1 Dopamine D4 ligands for the treatment of novelty-seeking disorders PFIZER INC. 2003-08-21 US claimed
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 claimed
US-20020049209-A1 Dopamine D4 ligands for the treatment of novelty-seeking disorders PFIZER INC. 2002-04-25 US claimed
EP-1177792-A2 Dopamine D4 Ligands for the treatment of novelty-seeking disorders Pfizer Products Inc. (US) 2002-02-06 EP claimed
CN-1265660-A 2-(4-aryl or heteroaryl-piperazin-1-ylmethyl)-1H-indole derivatives PFIZER PROD INC (US) 2000-09-06 CN claimed
EP-2121630-B1 FAST DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2012-08-01 EP disclosed
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-20040116443-A1 Dopamine D4 ligands for the treatment of novelty-seeking disorders PFIZER INC 2004-06-17 US disclosed
US-20030158208-A1 Dopamine D4 ligands for the treatment of novelty-seeking disorders PFIZER INC. 2003-08-21 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
US-6548502-B2 Preventing disorder selected from pathological gambling, attention deficit disorder with hyperactivity disorder, substance addiction such as drug and alcohol and sex in a mammals by administering pyrido(1,2-a) pyrazine derivatives PFIZER INC 2003-04-15 US disclosed
US-20020049209-A1 Dopamine D4 ligands for the treatment of novelty-seeking disorders PFIZER INC. 2002-04-25 US disclosed
EP-1177792-A2 Dopamine D4 Ligands for the treatment of novelty-seeking disorders Pfizer Products Inc. (US) 2002-02-06 EP disclosed
CN-1265660-A 2-(4-aryl or heteroaryl-piperazin-1-ylmethyl)-1H-indole derivatives PFIZER PROD INC (US) 2000-09-06 CN 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 (4 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-20020049209-A1 Dopamine D4 ligands for the treatment of novelty-seeking disorders SLC6A3, DRD4, DRD2 DRD4 2/4885DRD2 3/4885DRD3 6/4885
US-20030158208-A1 Dopamine D4 ligands for the treatment of novelty-seeking disorders SLC6A3, DRD4, DRD2 DRD4 2/4885DRD2 3/4885DRD3 6/4885
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.