SCHEMBL6843887

SCHEMBL6843887

OC(CN1CCN(Cc2ccccc2C(F)(F)F)CC1)Cn1cnc2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGER Q15109 7/20 0.49
KDM4E B2RXH2 6/20 0.48
ALDH1A1 P00352 6/20 0.48
ATM Q13315 3/20 0.48
POLB P06746 2/20 0.46
TSHR P16473 2/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TDP1 Q9NUW8 4/20 0.45
NPSR1 Q6W5P4 3/20 0.45
GAA P10253 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.43
IDO1 P14902 1/20 0.43

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
SCHEMBL6844242 0.81 LMNA (0.60) AGERKDM4EPOLBTSHRMAPT
SCHEMBL6839530 0.80 IDO1 (0.53) AGERKDM4EALDH1A1POLBTSHR
SCHEMBL8340692 0.77 AGER (0.60) AGERALDH1A1POLBTSHRMAPT
SCHEMBL6846745 0.76 DRD2 (0.55) AGERKDM4EALDH1A1MAPTMAPK1
SCHEMBL6846881 0.76 DRD2 (0.64) AGERPOLBTSHRMAPTMAPK1
SCHEMBL6846700 0.75 AGER (0.55) AGERKDM4EALDH1A1POLBTSHR
SCHEMBL6839346 0.75 P2RX7 (0.56) AGERALDH1A1POLBTSHRMAPT
SCHEMBL6839525 0.75 P2RX7 (0.69) AGERPOLBTSHRMAPTMAPK1
SCHEMBL6844223 0.75 AGER (0.55) AGERKDM4EPOLBTSHRMAPT
SCHEMBL6844250 0.75 SIGMAR1 (0.46) AGERALDH1A1POLBTSHRMAPT

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 767/4885KDM4E 1116/4885ALDH1A1 508/4885
US-20030158208-A1 Dopamine D4 ligands for the treatment of novelty-seeking disorders SLC6A3, DRD4, DRD2 AGER 767/4885KDM4E 1116/4885ALDH1A1 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.