SCHEMBL6843595

SCHEMBL6843595

O=c1[nH]c2cc(F)ccc2n1CC(O)CN1CCN(c2ccc(F)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 5/20 0.50
DRD2 P14416 4/20 0.50
HTR7 P34969 4/20 0.50
HPGD P15428 2/20 0.50
LMNA P02545 2/20 0.50
POLB P06746 1/20 0.50
MAPK1 P28482 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
DAO P14920 1/20 0.49
MAPT P10636 4/20 0.47
IDO1 P14902 1/20 0.46
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
GAA P10253 1/20 0.45
ABCB1 P08183 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
SCHEMBL6843885 0.92 HTR1A (0.52) HTR1ADRD2HTR7HPGDLMNA
SCHEMBL6967924 0.77 HTR1A (0.49) HTR1AHTR7HPGDLMNAPOLB
SCHEMBL5026887 0.74 BAX (0.63) LMNAMAPK1SMN1; SMN2MAPTALOX15
SCHEMBL6965271 0.74 HTR1A (0.48) HTR1ADRD2HTR7LMNAMAPT
SCHEMBL12124686 0.72 SLC6A2 (0.67) HTR7HPGDLMNAPOLBMAPK1
SCHEMBL12781852 0.71 ADRA2A (0.71) HTR1ADRD2HTR7LMNASMN1; SMN2
SCHEMBL13875129 0.71 MEN1 (0.62) HTR1ADRD2HTR7LMNASMN1; SMN2
SCHEMBL12124676 0.70 HTR7 (0.82) HTR1AHTR7
SCHEMBL21385267 0.69 PRMT5 (0.60) HTR1ADRD2HTR7MAPK1
SCHEMBL2020439 0.68 KCNH2 (0.82) HPGDLMNASMN1; SMN2MAPTABCB1

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 HTR1A 85/4885DRD2 3/4885HTR7 152/4885
US-20030158208-A1 Dopamine D4 ligands for the treatment of novelty-seeking disorders SLC6A3, DRD4, DRD2 HTR1A 85/4885DRD2 3/4885HTR7 152/4885

“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.