SCHEMBL6839145

SCHEMBL6839145

O=[N+]([O-])c1ccc(N2CCN(CC(O)Cn3cnc4ccccc43)CC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.60
MAPT P10636 3/20 0.53
ALDH1A1 P00352 2/20 0.53
HTT P42858 2/20 0.53
HTR1A P08908 2/20 0.50
IGF1R P08069 1/20 0.50
FAAH O00519 1/20 0.50
MGLL Q99685 1/20 0.50
DRD2 P14416 2/20 0.49
DRD4 P21917 2/20 0.49
DRD3 P35462 2/20 0.49
POLB P06746 1/20 0.47
AGER Q15109 2/20 0.47
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NPY1R P25929 1/20 0.45
NPY2R P49146 1/20 0.45

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
SCHEMBL6846881 0.86 DRD2 (0.64) MAPTDRD2DRD4DRD3POLB
SCHEMBL6843585 0.85 DRD2 (0.54) MAPTALDH1A1HTTDRD2DRD4
SCHEMBL6843898 0.84 DRD2 (0.53) MAPTHTTHTR1ADRD2DRD4
SCHEMBL6839336 0.84 MAPT (0.54) TDP1MAPTALDH1A1HTTDRD2
SCHEMBL6846647 0.84 DRD2 (0.53) TDP1MAPTDRD2DRD4DRD3
SCHEMBL6844266 0.82 HTR7 (0.57) MAPTALDH1A1HTTDRD2DRD4
SCHEMBL6846653 0.81 MEN1 (0.58) MAPTALDH1A1HTTAGERLMNA
SCHEMBL6956442 0.79 AGER (0.49) MAPTALDH1A1HTTPOLBAGER
SCHEMBL6839537 0.79 RECQL (0.56) MAPTALDH1A1HTR1AIGF1RDRD2
SCHEMBL6846830 0.79 AGER (0.49) MAPTALDH1A1HTTHTR1ADRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0775118-B1 BENZIMIDAZOLE DERIVATIVES HAVING DOPAMINERGIC ACTIVITY PFIZER (US) 2003-06-04 EP 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 TDP1 2054/4885MAPT 1380/4885ALDH1A1 508/4885
US-20030158208-A1 Dopamine D4 ligands for the treatment of novelty-seeking disorders SLC6A3, DRD4, DRD2 TDP1 2054/4885MAPT 1380/4885ALDH1A1 508/4885

“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.