SCHEMBL6849549

SCHEMBL6849549

CNCCCOc1ccc(Cl)cc1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 2/20 0.66
DRD4 P21917 6/20 0.64
DRD2 P14416 5/20 0.64
DRD3 P35462 5/20 0.64
HTR1D P28221 1/20 0.57
L3MBTL1 Q9Y468 2/20 0.54
NPC1 O15118 1/20 0.50
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 2/20 0.49
MEN1 O00255 1/20 0.49
HTT P42858 1/20 0.49
KMT2A Q03164 1/20 0.49
LMNA P02545 1/20 0.49
KCNH2 Q12809 1/20 0.49
TAAR1 Q96RJ0 1/20 0.48

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
Hydrochloric Acid SCHEMBL6851374 0.98 HTR1B (0.63) HTR1BDRD4DRD2DRD3HTR1D
SCHEMBL2472084 0.94 HTR1B (0.64) HTR1BDRD4DRD2DRD3HTR1D
Hydrochloric Acid SCHEMBL21595631 0.92 HTR1B (0.62) HTR1BDRD4DRD2DRD3HTR1D
Hydrochloric Acid SCHEMBL5004335 0.85 DRD4 (0.66) HTR1BDRD4DRD2DRD3HTR1D
Formic Acid SCHEMBL5072995 0.84 DRD4 (0.55) HTR1BDRD4DRD2DRD3HTR1D
Dimethylamine SCHEMBL3444887 0.82 DRD4 (0.56) DRD4DRD2DRD3NPC1MEN1
SCHEMBL6255082 0.82 HTR1B (0.68) HTR1BDRD4DRD2DRD3HTR1D
SCHEMBL14174988 0.82 DRD2 (0.71) HTR1BDRD4DRD2DRD3HTR1D
SCHEMBL19957512 0.81 HTR1B (0.61) HTR1BDRD4DRD2DRD3HTR1D
SCHEMBL9770319 0.80 DRD4 (0.59) DRD4DRD2DRD3NPC1ALDH1A1

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
WO-2017212423-A1 CHEMCICAL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-12-14 WO disclosed
US-6756384-B2 TREATMENT OF DISEASES AND DISORDERS RELATED TO THE HISTAMINE H3 RECEPTOR. NOVO NORDISK A/S (DK) 2004-06-29 US disclosed
US-20030135056-A1 Imidazole compounds HIGH POINT PHARMACEUTICALS, LLC 2003-07-17 US disclosed
EP-1268484-A1 CONDENSED IMIDAZOLES AS HISTAMINE H3 RECEPTOR LIGANDS NOVO NORDISK A/S (DK) 2003-01-02 EP disclosed
US-6437147-B1 FOR THERAPY OF DISEASES OF CENTRAL NERVOUS SYSTEM, PERIPHERAL NERVOUS SYSTEM, CARDIOVASCULAR SYSTEM, PULMONARY SYSTEM, GASTROINTESTINAL SYSTEM AND ENDOCRINOLOGICAL SYSTEM NOVO NORDISK (DK) 2002-08-20 US disclosed
US-20020058659-A1 Imidazole compounds HIGH POINT PHARMACEUTICALS, LLC 2002-05-16 US disclosed
WO-2001068652-A1 CONDENSED IMIDAZOLES AS HISTAMINE H3 RECEPTOR LIGANDS NOVO NORDISK A/S (DK) 2001-09-20 WO disclosed
EP-0531253-B1 N-substituted aminomethanediphosphonic acids CIBA GEIGY AG (CH) 1997-01-08 EP disclosed
US-5281748-A N-substituted aminomethanediphosphonic acids CIBA-GEIGY CORP. (US) 1994-01-25 US disclosed
EP-0531253-A1 N-substituted aminomethanediphosphonic acids CIBA-GEIGY AG (CH) 1993-03-10 EP 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-20030135056-A1 Imidazole compounds HRH3, HRH4, HRH2 HTR1B 114/4885DRD4 1390/4885DRD2 668/4885
US-20020058659-A1 Imidazole compounds HRH3, HRH4, HRH2 HTR1B 114/4885DRD4 1390/4885DRD2 668/4885

“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.