SCHEMBL6843871

SCHEMBL6843871

O=c1[nH]c2cc(F)c(F)cc2n1CCCN1CCN(c2ccc(F)cn2)CC1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HTR7 P34969 8/20 0.47
▸ PARP1 P09874 3/20 0.46
▸ PARP2 Q9UGN5 1/20 0.46
▸ DRD2 P14416 5/20 0.45
▸ DRD3 P35462 5/20 0.45
▸ HTR1A P08908 4/20 0.45
▸ DRD1 P21728 3/20 0.45
▸ DRD5 P21918 3/20 0.45
▸ DRD4 P21917 3/20 0.45
▸ HTR2A P28223 3/20 0.45
▸ HTR2C P28335 3/20 0.45
▸ SLC6A4 P31645 1/20 0.45
▸ TMEM97 Q5BJF2 2/20 0.43
▸ SIGMAR1 Q99720 2/20 0.43
▸ TNK2 Q07912 1/20 0.43
▸ TNK1 Q13470 1/20 0.43
▸ TLR7 Q9NYK1 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
SCHEMBL6844257 0.91 HTR7 (0.50) HTR7PARP1PARP2DRD2DRD3
SCHEMBL6843589 0.74 HTR7 (0.64) HTR7DRD2DRD3HTR1AHTR2A
SCHEMBL6844258 0.74 HTR7 (0.67) HTR7DRD2DRD3HTR1AHTR2A
SCHEMBL6844231 0.74 HTR7 (0.61) HTR7DRD2DRD3HTR1ADRD1
SCHEMBL6843577 0.71 HTR7 (0.69) HTR7DRD2DRD3HTR1AHTR2A
SCHEMBL6839185 0.69 HTR7 (0.65) HTR7DRD2DRD3HTR1AHTR2A
SCHEMBL13284828 0.68 DRD2 (0.70) HTR7DRD2DRD3HTR1ADRD1
SCHEMBL27031071 0.68 HTR7 (0.70) HTR7DRD2HTR1AHTR2A
SCHEMBL12124676 0.68 HTR7 (0.82) HTR7HTR1A
SCHEMBL9778474 0.67 HTR7 (0.60) HTR7DRD2DRD3HTR1AHTR2A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-0765320-B1 BENZIMIDAZOLONE DERIVATIVES WITH CENTRAL DOPAMINERGIC ACTIVITY PFIZER (US) 2001-10-10 — — EP disclosed
EP-0765320-A1 BENZIMIDAZOLONE DERIVATIVES WITH CENTRAL DOPAMINERGIC ACTIVITY PFIZER INC. (US) 1997-04-02 — — EP disclosed
WO-1995034555-A1 BENZIMIDAZOLONE DERIVATIVES WITH CENTRAL DOPAMINERGIC ACTIVITY PFIZER INC. (US) 1995-12-21 — — 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 (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-20020049209-A1 Dopamine D4 ligands for the treatment of novelty-seeking disorders SLC6A3, DRD4, DRD2 HTR7 152/4885PARP1 4279/4885PARP2 4685/4885
US-20030158208-A1 Dopamine D4 ligands for the treatment of novelty-seeking disorders SLC6A3, DRD4, DRD2 HTR7 152/4885PARP1 4279/4885PARP2 4685/4885

“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.

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