SCHEMBL6849635

SCHEMBL6849635

O=C1c2ccccc2C(=O)N1CC1CCc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2C1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
CYP1B1 Q16678 3/20 0.33
TRPA1 O75762 2/20 0.33
HTR7 P34969 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
ADRB3 P13945 1/20 0.32

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
SCHEMBL6849708 0.91 ACHE (0.35) ACHECYP1A2CYP2C9CYP2C19CYP1B1
SCHEMBL6846889 0.80 CHRM2 (0.33)
SCHEMBL6850900 0.80 CHRM3 (0.31)
SCHEMBL7009824 0.76 HSD11B1 (0.32) ACHEALDH1A1
SCHEMBL7009826 0.75 MTNR1A (0.43)
SCHEMBL1417680 0.73 PDK1 (0.34) CYP2C19KDM4E
SCHEMBL30620942 0.73 CYP1A2 (0.49) ACHECYP1A2CYP2C9CYP2C19CYP1B1
SCHEMBL29097463 0.73 CYP1A2 (0.49) ACHECYP1A2CYP2C9CYP2C19CYP1B1
SCHEMBL6967614 0.72 SIGMAR1 (0.41)
SCHEMBL6968686 0.71 SIGMAR1 (0.45)

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 ACHE 395/4885CYP1A2 906/4885CYP2C9 1226/4885
US-20020058659-A1 Imidazole compounds HRH3, HRH4, HRH2 ACHE 395/4885CYP1A2 906/4885CYP2C9 1226/4885

“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.