SCHEMBL1929072

SCHEMBL1929072

CC(C)N1CC(c2ccc(Br)cn2)C1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.41
OPRL1 P41146 1/20 0.41
TLR9 Q9NR96 2/20 0.33
TLR8 Q9NR97 2/20 0.33
TLR7 Q9NYK1 2/20 0.33
SLC6A4 P31645 1/20 0.33
ACACB O00763 2/20 0.32
POLB P06746 2/20 0.32
OGA O60502 1/20 0.32
GBA1 P04062 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
PDE10A Q9Y233 2/20 0.32
DRD4 P21917 1/20 0.30
KDM5A P29375 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
SCHEMBL3072050 0.84 OPRM1 (0.45) OPRM1OPRL1TLR9TLR8TLR7
SCHEMBL29399000 0.84 OPRM1 (0.45) OPRM1OPRL1TLR9TLR8TLR7
SCHEMBL27276722 0.75 ACACB (0.38) ACACBKDM5A
SCHEMBL27517004 0.74 SLC6A4 (0.44) TLR9TLR8TLR7SLC6A4ACACB
SCHEMBL30600078 0.74 OPRM1 (0.46) OPRM1OPRL1POLBGBA1
SCHEMBL588122 0.74 OPRM1 (0.46) OPRM1OPRL1POLBGBA1
SCHEMBL19459218 0.73 BRD4 (0.47) ACACBHRH3
SCHEMBL12030762 0.72 PDE9A (0.43) OPRM1OPRL1POLBHRH3KDM5A
SCHEMBL17729535 0.72 ALDH1A1 (0.43) OPRM1OPRL1POLBKDM5A
SCHEMBL12030745 0.71 PDE9A (0.44) TLR9TLR8TLR7KDM5A

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 OPRM1 217/4885OPRL1 432/4885TLR9 4101/4885
US-20040242573-A1 Novel compounds SULT1E1, TPMT, UGT1A1 OPRM1 88/4885OPRL1 868/4885TLR9 3789/4885
US-20110152234-A1 Novel Compounds CNR1, ABCG2, CNR2 OPRM1 217/4885OPRL1 432/4885TLR9 4101/4885

“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.