SCHEMBL6852846

SCHEMBL6852846

O=C(CCc1ccccc1)C1CCc2nc[nH]c2C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 6/20 0.50
HTR3A P46098 2/20 0.49
ADRA2A P08913 1/20 0.49
ADRA2B P18089 1/20 0.49
ADRA2C P18825 1/20 0.49
SLC6A4 P31645 1/20 0.49
OPRK1 P41145 1/20 0.49
HTR2B P41595 1/20 0.49
KCNH2 Q12809 1/20 0.49
HTR3E A5X5Y0 1/20 0.49
HTR3B O95264 1/20 0.49
HTR3D Q70Z44 1/20 0.49
HTR3C Q8WXA8 1/20 0.49
ADRA1D P25100 1/20 0.41
POLB P06746 1/20 0.38
ALDH1A1 P00352 3/20 0.36
KEAP1 Q14145 1/20 0.36
CYP2C19 P33261 1/20 0.36
KDM4E B2RXH2 1/20 0.35
FFAR1 O14842 1/20 0.35

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
SCHEMBL6852825 0.90 ADRA1A (0.41) ADRA1AHTR3AADRA2AADRA2BADRA2C
SCHEMBL7008261 0.88 ADRA1A (0.52) ADRA1AHTR3AADRA2AADRA2BADRA2C
SCHEMBL6850907 0.78 HTR3A (0.60) ADRA1AHTR3AADRA2AADRA2BADRA2C
SCHEMBL7008256 0.78 ADRA1A (0.43) ADRA1AHTR3AADRA2AADRA2BADRA2C
SCHEMBL6851022 0.77 ADRA1A (0.53) ADRA1AHTR3AADRA2AADRA2BADRA2C
SCHEMBL6851434 0.74 HTR3A (0.47) ADRA1AHTR3AADRA2AADRA2BADRA2C
Fumaric Acid SCHEMBL7334153 0.73 ADRA1A (0.47) ADRA1AHTR3AADRA2AADRA2BADRA2C
SCHEMBL6850877 0.73 KDM4E (0.50) POLBALDH1A1CYP2C19KDM4E
SCHEMBL7332682 0.73 HTR3A (0.50) ADRA1AHTR3AADRA2AADRA2BADRA2C
SCHEMBL7327902 0.73 BRD4 (0.47) ADRA1AHTR3AADRA2AADRA2BADRA2C

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 239/4885HTR3A 53/4885ADRA2A 155/4885
US-20020058659-A1 Imidazole compounds HRH3, HRH4, HRH2 ADRA1A 239/4885HTR3A 53/4885ADRA2A 155/4885

“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.