SCHEMBL6849837

SCHEMBL6849837

NCCC1CCc2[nH]cnc2C1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 6/20 0.38
ADRA1D P25100 1/20 0.33
HRH3 Q9Y5N1 2/20 0.30
HRH2 P25021 1/20 0.30
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30
NOS2 P35228 1/20 0.30
ROCK2 O75116 1/20 0.30
ROCK1 Q13464 1/20 0.30
CDC42BPB Q9Y5S2 1/20 0.30

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
SCHEMBL12578889 0.87 ADRA1A (0.40) ADRA1AADRA1D
Hydrochloric Acid SCHEMBL1844677 0.85 ADRA1A (0.39) ADRA1AADRA1D
Hydrochloric Acid SCHEMBL6961742 0.78 ADRA1A (0.37) ADRA1A
SCHEMBL6849832 0.77 ADRA1A (0.35) ADRA1AADRA1D
SCHEMBL21510387 0.76 ADRA1A (0.37) ADRA1AADRA1D
SCHEMBL6849697 0.75 ALDH1A1 (0.44) ADRA1AADRA1D
Hydrochloric Acid SCHEMBL6849761 0.75 ADRA1A (0.36) ADRA1AADRA1D
Hydrochloric Acid SCHEMBL6846931 0.74 ALDH1A1 (0.43) ADRA1AADRA1D
SCHEMBL4417884 0.73 ADRA1A (0.50) ADRA1AADRA1D
SCHEMBL6969193 0.73 TDP1 (0.38) ADRA1A

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-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

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 ADRA1A 239/4885ADRA1D 321/4885HRH3 1/4885
US-20020058659-A1 Imidazole compounds HRH3, HRH4, HRH2 ADRA1A 239/4885ADRA1D 321/4885HRH3 1/4885

“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.