SCHEMBL6846644

SCHEMBL6846644

O=C(CN1CCOCC1)N1CCN(CC(O)Cn2cnc3ccccc32)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
PLK1 P53350 1/20 0.49
KDM4E B2RXH2 2/20 0.48
LMNA P02545 1/20 0.48
ALDH1A1 P00352 1/20 0.48
RECQL P46063 1/20 0.48
HTT P42858 2/20 0.48
AGER Q15109 4/20 0.47
ATM Q13315 1/20 0.46
PRMT5 O14744 2/20 0.46
WDR77 Q9BQA1 2/20 0.46
PTGS2 P35354 1/20 0.46
TSHR P16473 2/20 0.45
HSD17B10 Q99714 2/20 0.45
ALOX15 P16050 1/20 0.45
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
APAF1 O14727 1/20 0.44

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
SCHEMBL8336875 0.84 AGER (0.54) MAPK1PLK1KDM4ELMNAALDH1A1
SCHEMBL6844223 0.82 AGER (0.55) MAPK1KDM4ELMNAAGERPRMT5
SCHEMBL8601897 0.80 NPSR1 (0.71) MAPK1NPSR1TDP1KDM4ELMNA
SCHEMBL6843909 0.77 ALDH1A1 (0.49) TDP1KDM4ELMNAALDH1A1HTT
SCHEMBL6846881 0.77 DRD2 (0.64) MAPK1AGERTSHRHSD17B10POLB
SCHEMBL6843585 0.76 DRD2 (0.54) MAPK1LMNAALDH1A1HTTAGER
SCHEMBL6846700 0.76 AGER (0.55) MAPK1KDM4ELMNAALDH1A1HTT
SCHEMBL6960020 0.75 AGER (0.55) MAPK1LMNAALDH1A1HTTAGER
SCHEMBL8340692 0.75 AGER (0.60) MAPK1TDP1LMNAALDH1A1HTT
SCHEMBL6844242 0.74 LMNA (0.60) MAPK1KDM4ELMNAHTTAGER

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 7 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

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 MAPK1 2193/4885NPSR1 28/4885TDP1 2054/4885
US-20030158208-A1 Dopamine D4 ligands for the treatment of novelty-seeking disorders SLC6A3, DRD4, DRD2 MAPK1 2193/4885NPSR1 28/4885TDP1 2054/4885

“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.