SCHEMBL6849697

SCHEMBL6849697

O=C(O)CC1CCc2[nH]cnc2C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ADRA1A P35348 5/20 0.39
DGAT1 O75907 1/20 0.36
ITGB3 P05106 4/20 0.35
ITGA2B P08514 4/20 0.35
CYP2C19 P33261 1/20 0.35
HSD17B10 Q99714 1/20 0.35
SLC6A1 P30531 2/20 0.34
GABRA5 P31644 2/20 0.34
GABRB2 P47870 2/20 0.34
SLC6A12 P48065 2/20 0.34
SLC6A11 P48066 2/20 0.34
SLC6A13 Q9NSD5 2/20 0.34
GABRR1 P24046 2/20 0.34
GABRA1 P14867 1/20 0.34
GABRA4 P48169 1/20 0.34
HTR3A P46098 2/20 0.33

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 SCHEMBL6846931 0.98 ALDH1A1 (0.43) ALDH1A1POLBMAPTTDP1ADRA1A
SCHEMBL6849832 0.87 ADRA1A (0.35) ALDH1A1POLBMAPTTDP1ADRA1A
Hydrochloric Acid SCHEMBL6961742 0.84 ADRA1A (0.37) ADRA1AITGB3ITGA2BCYP2C19HSD17B10
SCHEMBL6967541 0.81 JAK2 (0.39) ALDH1A1POLBTDP1ADRA1AHSD17B10
SCHEMBL12578889 0.78 ADRA1A (0.40) ADRA1AADRA1D
SCHEMBL3176458 0.76 ADRA1A (0.42) ALDH1A1MAPTADRA1ACYP2C19GABRA5
SCHEMBL3176454 0.76 ADRA1A (0.42) ALDH1A1MAPTADRA1ACYP2C19GABRA5
Hydrochloric Acid SCHEMBL3184840 0.75 ADRA1A (0.41) ALDH1A1MAPTADRA1ACYP2C19GABRA5
Hydrochloric Acid SCHEMBL3184832 0.75 ADRA1A (0.41) ALDH1A1MAPTADRA1ACYP2C19GABRA5
SCHEMBL21510387 0.74 ADRA1A (0.37) ADRA1AADRA1D

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
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-6610721-B2 Imidazo heterocyclic compounds NOVO NORDISK A/S (DK) 2003-08-26 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
EP-1268483-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
US-20010049385-A1 Imidazo heterocyclic compounds HIGH POINT PHARMACEUTICALS, LLC 2001-12-06 US disclosed
WO-2001068652-A1 CONDENSED IMIDAZOLES AS HISTAMINE H3 RECEPTOR LIGANDS NOVO NORDISK A/S (DK) 2001-09-20 WO disclosed
WO-2001068651-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 (3 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 ALDH1A1 1600/4885POLB 4423/4885MAPT 1175/4885
US-20020058659-A1 Imidazole compounds HRH3, HRH4, HRH2 ALDH1A1 1600/4885POLB 4423/4885MAPT 1175/4885
US-20010049385-A1 Imidazo heterocyclic compounds HRH4, HRH3, HRH2 ALDH1A1 1310/4885POLB 4583/4885MAPT 1982/4885

“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.