SCHEMBL6843584

SCHEMBL6843584

Nc1cc(Cl)ccc1NCCCN1CCN(c2ccc(F)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 11/20 0.54
DRD3 P35462 9/20 0.54
HTR2A P28223 9/20 0.54
HTR1A P08908 8/20 0.54
SIGMAR1 Q99720 6/20 0.54
TMEM97 Q5BJF2 5/20 0.54
DRD1 P21728 4/20 0.54
DRD5 P21918 3/20 0.54
MAPT P10636 3/20 0.53
TP53 P04637 2/20 0.53
HRH1 P35367 6/20 0.50
HTR2C P28335 4/20 0.50
DRD4 P21917 3/20 0.50
CACNA1G O43497 1/20 0.50
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
SLC6A4 P31645 2/20 0.47
SLC6A3 Q01959 2/20 0.47
CHRM1 P11229 1/20 0.47
HTR2B P41595 1/20 0.47

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
SCHEMBL6968583 0.83 TP53 (0.55) DRD2DRD3HTR2AHTR1ASIGMAR1
SCHEMBL6846732 0.82 MAPT (0.54) DRD2DRD3HTR2AHTR1ASIGMAR1
SCHEMBL11713319 0.82 POLB (0.48)
SCHEMBL30115042 0.81 ITGB2 (0.58) SIGMAR1MAPTLMNASMN1; SMN2
SCHEMBL2489051 0.79 HRH3 (0.70)
SCHEMBL7288986 0.75 DRD4 (0.47) DRD2DRD3SIGMAR1MAPTTP53
SCHEMBL7290150 0.74 CACNA1G (0.55) DRD2DRD3HTR2AHTR1ASIGMAR1
SCHEMBL11447942 0.73 HTR7 (0.60) DRD2HTR2AHTR1AMAPTTP53
SCHEMBL2491246 0.72 HRH3 (0.70)
SCHEMBL8011318 0.72 DRD2 (0.69) DRD2DRD3HTR2AHTR1ASIGMAR1

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 8 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 disclosed
US-20030158208-A1 Dopamine D4 ligands for the treatment of novelty-seeking disorders PFIZER INC. 2003-08-21 US 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 DRD2 3/4885DRD3 6/4885HTR2A 90/4885
US-20030158208-A1 Dopamine D4 ligands for the treatment of novelty-seeking disorders SLC6A3, DRD4, DRD2 DRD2 3/4885DRD3 6/4885HTR2A 90/4885

“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.