SCHEMBL6839501

SCHEMBL6839501

Cc1nc2cc(F)ccc2n1CCCN1CCN(c2ccc(F)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.48
HTR7 P34969 2/20 0.48
SLC6A2 P23975 1/20 0.47
HTR2A P28223 1/20 0.47
SLC6A4 P31645 1/20 0.47
SLC6A3 Q01959 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
SCHEMBL8340386 0.93 HTR7 (0.57) HTR1AHTR7HTR2ASLC6A4
SCHEMBL8336244 0.85 SIGMAR1 (0.52) HTR1A
SCHEMBL8336401 0.84 PKM (0.47) HTR1ASLC6A2HTR2ASLC6A4
SCHEMBL8788970 0.83 MCHR1 (0.48) HTR1AHTR2ASLC6A4
SCHEMBL8788615 0.82 GRM2 (0.42) HTR1AHTR7HTR2ASLC6A4
SCHEMBL8336417 0.82 HTR3E (0.53) HTR1A
SCHEMBL8341092 0.82 DRD2 (0.43)
SCHEMBL8337660 0.82 DRD4 (0.43)
SCHEMBL6965271 0.81 HTR1A (0.48) HTR1AHTR7
SCHEMBL8339768 0.81 KMT2A (0.41)

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 6 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

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 85/4885HTR7 152/4885SLC6A2 5/4885
US-20030158208-A1 Dopamine D4 ligands for the treatment of novelty-seeking disorders SLC6A3, DRD4, DRD2 HTR1A 85/4885HTR7 152/4885SLC6A2 5/4885

“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.