SCHEMBL6794396

SCHEMBL6794396

FC(F)(F)c1cccc(N2CCN(Cc3cc4ccccc4[nH]3)CC2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 4/20 0.57
DRD2 P14416 3/20 0.57
HTR1A P08908 2/20 0.57
HTR2A P28223 1/20 0.57
HTR2C P28335 1/20 0.57
HRH4 Q9H3N8 1/20 0.56
HTR7 P34969 2/20 0.56
ABCB11 O95342 1/20 0.55
ADRA2A P08913 1/20 0.55
ADORA3 P0DMS8 1/20 0.55
CHRM1 P11229 1/20 0.55
DRD1 P21728 1/20 0.55
TBXA2R P21731 1/20 0.55
SLC6A4 P31645 1/20 0.55
ADRA1A P35348 1/20 0.55
OPRM1 P35372 1/20 0.55
KCNH2 Q12809 1/20 0.55
SIGMAR1 Q99720 2/20 0.54
KDM4E B2RXH2 3/20 0.54
POLB P06746 1/20 0.53

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
SCHEMBL6781864 0.88 DRD2 (0.58) DRD3DRD2HTR1AHTR2AHTR2C
SCHEMBL6785423 0.87 DRD2 (0.51) DRD3DRD2HTR1AHTR2AHTR7
Hydrochloric Acid SCHEMBL6793607 0.87 DRD2 (0.57) DRD3DRD2HTR1AHTR2AHTR7
SCHEMBL30041328 0.84 HRH4 (0.69) DRD3DRD2HTR1AHRH4DRD4
SCHEMBL8682915 0.84 HRH4 (0.69) DRD3DRD2HTR1AHRH4DRD4
SCHEMBL5419290 0.80 CHRNA7 (0.57) DRD3DRD2HTR2CHRH4DRD1
SCHEMBL6864697 0.77 SIGMAR1 (0.76) DRD3DRD2HTR1AHTR7SIGMAR1
SCHEMBL23964200 0.77 HRH4 (0.63) DRD3DRD2HTR1AHRH4ADRA2A
SCHEMBL9393661 0.77 DRD4 (0.67) DRD3DRD2HRH4KDM4EDRD4
SCHEMBL30041451 0.77 HRH4 (0.63) DRD3DRD2HTR1AHRH4ADRA2A

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 15 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
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
EP-1003739-A2 2-(4-ARYL OR HETEROARYL-PIPERAZIN-1-YLMETHYL)-1H-INDOLE DERIVATIVES Pfizer Products Inc. (US) 2000-05-31 EP disclosed
WO-1999009025-A2 2-(4-ARYL OR HETEROARYL-PIPERAZIN-1-YLMETHYL)-1H-INDOLE DERIVATIVES INTERACTING WITH THE DOPAMINE D4 RECEPTOR PFIZER PRODUCTS INC. (US) 1999-02-25 WO 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 DRD3 6/4885DRD2 3/4885HTR1A 85/4885
US-20030158208-A1 Dopamine D4 ligands for the treatment of novelty-seeking disorders SLC6A3, DRD4, DRD2 DRD3 6/4885DRD2 3/4885HTR1A 85/4885
US-20030100757-A1 2-(4-aryl or heteroaryl-piperazin-1-ylmethyl)-1H-indole derivatives interacting with the dopamine D4 receptor DRD2, DRD3, DRD4 DRD3 2/4885DRD2 1/4885HTR1A 14/4885
US-20040198734-A1 2-(4-Aryl or heteroaryl-piperazin-1-ylmethyl)-1H-indole derivatives interacting with the dopamine DRD2, DRD3, TPH1 DRD3 2/4885DRD2 1/4885HTR1A 8/4885

“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.