SCHEMBL6843590

SCHEMBL6843590

OC(CN1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cn1cnc2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.57
AGER Q15109 7/20 0.51
IGF1R P08069 1/20 0.50
MAPK1 P28482 3/20 0.48
MAPT P10636 2/20 0.48
LMNA P02545 1/20 0.48
GAA P10253 1/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
DRD2 P14416 2/20 0.48
HTR7 P34969 2/20 0.48
HTR1A P08908 1/20 0.48
IDO1 P14902 1/20 0.47
POLB P06746 1/20 0.47
TSHR P16473 1/20 0.47
HSD17B10 Q99714 1/20 0.47
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C9 P11712 2/20 0.46

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
SCHEMBL6839525 0.91 P2RX7 (0.69) P2RX7AGERIGF1RMAPK1MAPT
Hydrochloric Acid SCHEMBL11194113 0.86 P2RX7 (0.54) P2RX7IGF1RMAPK1MAPTLMNA
Hydrochloric Acid SCHEMBL11194116 0.86 P2RX7 (0.54) P2RX7IGF1RMAPK1MAPTLMNA
SCHEMBL6846647 0.85 DRD2 (0.53) AGERMAPK1MAPTLMNADRD2
SCHEMBL11196098 0.83 P2RX7 (0.83) P2RX7DRD2HTR7HTR1AACHE
Water SCHEMBL11193186 0.82 P2RX7 (0.77) P2RX7DRD2HTR7HTR1AACHE
SCHEMBL11192908 0.81 P2RX7 (0.83) P2RX7DRD2HTR7HTR1AACHE
SCHEMBL11198387 0.81 P2RX7 (0.87) P2RX7DRD2HTR7HTR1ADRD4
SCHEMBL6839062 0.79 DRD2 (0.53) MAPTLMNASMN1; SMN2DRD2HTR7
SCHEMBL8340692 0.78 AGER (0.60) AGERMAPK1MAPTLMNAGAA

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 P2RX7 568/4885AGER 767/4885IGF1R 1033/4885
US-20030158208-A1 Dopamine D4 ligands for the treatment of novelty-seeking disorders SLC6A3, DRD4, DRD2 P2RX7 568/4885AGER 767/4885IGF1R 1033/4885

“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.