SCHEMBL1928320

SCHEMBL1928320

COc1ccc(OC2CCN(C(C)C)C2)c(Br)c1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.44
KDM2B Q8NHM5 1/20 0.42
MAPT P10636 1/20 0.42
TLR9 Q9NR96 1/20 0.40
TLR8 Q9NR97 1/20 0.40
TLR7 Q9NYK1 1/20 0.40
CHEK1 O14757 2/20 0.40

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
SCHEMBL1929020 0.91 MAPT (0.44) HRH3KDM2BMAPTCHEK1
SCHEMBL1926962 0.85 HRH3 (0.45) HRH3
SCHEMBL1927036 0.84 SLC6A4 (0.47) HRH3
SCHEMBL1928720 0.84 SLC6A4 (0.43) HRH3
SCHEMBL1928933 0.81 LIPG (0.43) HRH3
SCHEMBL1927148 0.81 HRH3 (0.54) HRH3CHEK1
SCHEMBL1926949 0.81 HRH3 (0.43) HRH3
SCHEMBL1928840 0.78 SCD (0.48) HRH3
SCHEMBL1927682 0.76 SCD (0.47) HRH3
SCHEMBL1928559 0.76 HRH3 (0.39) HRH3CHEK1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110152234-A1 Novel Compounds ASTRAZENECA AB (SE) 2011-06-23 US disclosed
US-7956084-B2 Phenyl thiophene carboxamide compounds as inhibitors of the enzyme IKK-2 ASTRAZENECA AB (SE) 2011-06-07 US disclosed
EP-1421074-B1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2010-09-29 EP disclosed
US-20070015819-A1 Novel compounds ASTRAZENECA AB, A SWEDEN CORPORATION 2007-01-18 US disclosed
US-7125896-B2 Thiophene carboxamide compounds as inhibitors of enzyme IKK-2 ASTRAZENECA AB (SE) 2006-10-24 US disclosed
US-20040242573-A1 Novel compounds ASTRAZENECA AB (SE) 2004-12-02 US disclosed
EP-1421074-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2004-05-26 EP disclosed
WO-2003010158-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2003-02-06 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-20070015819-A1 Novel compounds CNR1, ABCG2, CNR2 HRH3 159/4885KDM2B 958/4885MAPT 2155/4885
US-20040242573-A1 Novel compounds SULT1E1, TPMT, UGT1A1 HRH3 1028/4885KDM2B 2020/4885MAPT 2306/4885
US-20110152234-A1 Novel Compounds CNR1, ABCG2, CNR2 HRH3 159/4885KDM2B 958/4885MAPT 2155/4885

“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.