SCHEMBL6839233

SCHEMBL6839233

OC(CN1CCN(c2cccc3ccccc23)CC1)Cn1cnc2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGER Q15109 5/20 0.58
HTR1A P08908 6/20 0.52
DRD2 P14416 5/20 0.52
HTR2A P28223 2/20 0.52
DRD3 P35462 2/20 0.52
HTR2C P28335 1/20 0.52
MAPT P10636 9/20 0.50
MAPK1 P28482 5/20 0.50
KDM4E B2RXH2 3/20 0.50
NPSR1 Q6W5P4 1/20 0.50
LMNA P02545 5/20 0.49
TDP1 Q9NUW8 3/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
HIF1A Q16665 2/20 0.49
TSHR P16473 2/20 0.49
ALDH1A1 P00352 2/20 0.49
CYP1A2 P05177 2/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2D6 P10635 2/20 0.49

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
SCHEMBL6844248 0.85 AGER (0.53) AGERDRD2DRD3MAPTMAPK1
SCHEMBL6843572 0.84 AGER (0.52) AGERMAPTMAPK1TSHRPOLB
SCHEMBL6846881 0.82 DRD2 (0.64) AGERDRD2DRD3MAPTMAPK1
SCHEMBL15748189 0.81 DRD2 (0.63) HTR1ADRD2HTR2ADRD3HTR2C
SCHEMBL6846700 0.81 AGER (0.55) AGERHTR1ADRD2DRD3MAPT
SCHEMBL6843585 0.79 DRD2 (0.54) AGERDRD2DRD3MAPTMAPK1
SCHEMBL6843898 0.78 DRD2 (0.53) AGERHTR1ADRD2DRD3MAPT
SCHEMBL6846647 0.78 DRD2 (0.53) AGERDRD2DRD3MAPTMAPK1
SCHEMBL6839336 0.78 MAPT (0.54) AGERDRD2DRD3MAPTMAPK1
SCHEMBL8340692 0.78 AGER (0.60) AGERMAPTMAPK1LMNATDP1

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 17 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 claimed
US-20030158208-A1 Dopamine D4 ligands for the treatment of novelty-seeking disorders PFIZER INC. 2003-08-21 US claimed
EP-0775118-B1 BENZIMIDAZOLE DERIVATIVES HAVING DOPAMINERGIC ACTIVITY PFIZER (US) 2003-06-04 EP 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-5889010-A PSYCHOLOGICAL DISORDERS; UROGENITAL DISORDERS; COGNITION ACTIVATORS; NERVOUS SYSTEM DISORDERS; VISION DEFECTS; CONGESTIVE HEART FAILURE; DRUG ABRUSE; PARKINSON'S DISEASE;ANTIINFLAMMATORY AGENTS; ANTIALLERGENS PFIZER INC. (US) 1999-03-30 US claimed
EP-0775118-A1 BENZIMIDAZOLE DERIVATIVES HAVING DOPAMINERGIC ACTIVITY PFIZER INC. (US) 1997-05-28 EP claimed
WO-1996004250-A1 BENZIMIDAZOLE DERIVATIVES HAVING DOPAMINERGIC ACTIVITY PFIZER INC. (US) 1996-02-15 WO claimed
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
EP-0775118-B1 BENZIMIDAZOLE DERIVATIVES HAVING DOPAMINERGIC ACTIVITY PFIZER (US) 2003-06-04 EP 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
US-5889010-A PSYCHOLOGICAL DISORDERS; UROGENITAL DISORDERS; COGNITION ACTIVATORS; NERVOUS SYSTEM DISORDERS; VISION DEFECTS; CONGESTIVE HEART FAILURE; DRUG ABRUSE; PARKINSON'S DISEASE;ANTIINFLAMMATORY AGENTS; ANTIALLERGENS PFIZER INC. (US) 1999-03-30 US disclosed
EP-0775118-A1 BENZIMIDAZOLE DERIVATIVES HAVING DOPAMINERGIC ACTIVITY PFIZER INC. (US) 1997-05-28 EP disclosed
WO-1996004250-A1 BENZIMIDAZOLE DERIVATIVES HAVING DOPAMINERGIC ACTIVITY PFIZER INC. (US) 1996-02-15 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 AGER 767/4885HTR1A 85/4885DRD2 3/4885
US-20030158208-A1 Dopamine D4 ligands for the treatment of novelty-seeking disorders SLC6A3, DRD4, DRD2 AGER 767/4885HTR1A 85/4885DRD2 3/4885

“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.